C9H10N2O5 6H-Furo[2′,3′:4,5]oxazolo[3,2-a]pyrimidin-6-enye, 2,3,3a,9a-tetrah ydro-3-hydroxy-2-(hydroxymethyl)- , (2R,3 R,3aS,9aR)- (9CI, ACI)

imveliso

C9H10N2O5 6H-Furo[2′,3′:4,5]oxazolo[3,2-a]pyrimidin-6-enye, 2,3,3a,9a-tetrah ydro-3-hydroxy-2-(hydroxymethyl)- , (2R,3 R,3aS,9aR)- (9CI, ACI)

Ulwazi olusisiseko:


Iinkcukacha zeMveliso

Iithegi zeMveliso

Iinkcukacha zeZiyobisi

Inombolo yoBhaliso yeCAS

3736-77-4

IiPropati zoMzimba eziPhambili Ixabiso Imeko
Ubunzima beMolekyuli 226.19 -
Indawo yokunyibilika (yoMfuniselo) 234-235 °C -
Indawo yokuBila (Kuqikelelwe) 456.3±55.0 °C Cinezela: 760 Torr
Ukuxinana (Kuqikelelwe) 2.01±0.1 g/cm3 Ubushushu: 20 °C; Cinezela: 760 Torr
pKa (Kuxelwe kwangaphambili) 12.55±0.40 Owona bushushu be-Acidic Temp: 25 °C

Amanye Amagama kunye neZazi

Uncumo lweCanonical
O=C1N=C2OC3C(O)C(OC3N2C=C1)CO
Isomeric UNCUMA
O[C@H]1[C@]2([C@](N3C(O2)= NC(=O)C=C3)(O[C@@H]1CO)[H])[H]
InChi
InChI= 1S/C9H10N2O5/c12-3-4-6(14)7-8(15-4)11-2-1-5(13)10-9(11)16-7/h1-2,4, 6-8,12,14H,3H2/t4-,6-,7+,8-/m1/s1
Isitshixo se-InchI
UUGITDASWNOAGG-CCXZUQQUSA-N
13 Amanye Amagama ale nto
(2R,3 R,3aS,9aR)-2,3,3a,9a-Tetrahydro-3-hydroxy-2-(hydroxymethyl)-6H-furo[2′,3′:4,5]oxazolo[3,2] -a]pyrimidin-6-enye (ACI); 6H-Furo[2′, 3′:4,5]oxazolo[3,2-a]pyrimidin-6-enye, 2,3,3a,9a-tetrahydro-3-hydroxy-2-(hydroxymethyl)- (6CI , 7CI); 6H-Furo[2′,3′:4,5]oxazolo[3,2-a] pyrimidin-6-enye, 2,3,3a,9a-tetrahydro-3-hydroxy-2-(hydroxymethyl)-, [ 2R-(2α,3β,3aβ,9aβ)]- (ZCI); 6H-Furo[2′,3′:4,5]oxazolo[3,2-a]

pyrimidin-6-enye, 2,3,3a, 9a-tetrahydro-3-hydroxy-2- (hydroxymethyl)-, stereoisomer (8CI); 2,2′ -Anhydro(1- β -D-arabinofuranosyl)uracil; 2,2′ -Anhydro-1- β -D-arabino-furanosyluracil; 2,2′ -Anhydro-N1-(β -D-arabinofuranosyl)uracil; I-2,2'-Anhydrouridine; 2,2' -O-Cyclouridine; NSC 157148; O2,2′ -Anhydrouridine; O2,2'-Cyclouridine; β -D-2′,2-O-Cycloarabinouridine

Iipropati zoMfuniselo

Iipropati ezikhoyo
I-Optical kunye nokusabalalisa
Thermal

I-Optical kunye ne-Scatering

Ipropati Ixabiso Imeko Umthombo
I-Optical Rotatory Power -19 deg Isinyibilikisi: Methanol; λ: 589.3 nm; Ubushushu: 26 °C (1) I-CAS

(1) Codington, uJohn F.; Ijenali yeAmerican Chemical Society, (1961), 83, 5030-1, CAplus

Thermal

Ipropati Ixabiso Imeko Umthombo
Indawo yokunyibilika 250-253 °C   (1) I-CAS
Indawo yokunyibilika 246 °C Isinyibilikisi: I-Ethanol; Isopropanol (2) CAS
Indawo yokunyibilika 242-245 °C   (3) CAS
Indawo yokunyibilika 242-243 °C   (4) CAS
Indawo yokunyibilika 236-238 °C (yabola)   (5) CAS
Indawo yokunyibilika 234 °C   (6) CAS
Indawo yokunyibilika 234-235 °C   (7) CAS
Indawo yokunyibilika 233-234 °C (yabola) Ukunyibilika: Methanol (8) CAS
Indawo yokunyibilika Jonga iSibhalo esipheleleyo   (9) CAS

(1) Lin, Kun-I.; Ijenali ye-Chinese Chemical Society (Taipei, Taiwan), (2007), 54 (2), 563-568, CAplus

(2) Takatsuki, Ken-ichi; IiNucleosides, Nucleotides & Nucleic Acids, (2006), 25(7), 719-734, CAplus

(3) uWnuk, uStanislaw F.; Ijenali ye-Organic Chemistry, (2002), 67(6), 1816-1819, CAplus

(4) eSzlenkier, eMaurycy; Nucleosides, Nucleotides & Nucleic Acids, (2016), 35 (8), 410-425, CAplus

(5) uMarumoto, uRyuji; Takeda Kenkyusho Nenpo, (1967), 26, 21-3, CAplus

(6) Krizmanic, Irena; Tetrahedron, (2003), 59(23), 4047-4057, CAPPlus

(7) Brown, DM; Journal of the Chemical Society, (1958), 3035-8, CAplus

(8) Li, Heting; Synthetic Communications, (2006), 36(14), 1933-1940, CAplus

(9) Codington, uJohn F.; Ijenali yeAmerican Chemical Society, (1961), 83, 5030-1, CAplus

ISpectra yoMfuniselo

ISpectra ekhoyo
1 H NMR
13 C NMR
IR
ISpectra ekhoyo
IMisa

Iipropati eziqikelelweyo

Iipropati ezikhoyo
Ibhayoloji
Ikhemikhali
Ukuxinana
Lipinski
Ulwakhiwo oluNxulumeneyo
Thermal

Ibhayoloji

Ipropati Ixabiso Imeko Umthombo
I-Bioconcentration Factor 1.0 pH 1; Ubushushu: 25 °C (1) ACD
I-Bioconcentration Factor 1.0 pH 2; Ubushushu: 25 °C (1) ACD
I-Bioconcentration Factor 1.0 pH 3; Ubushushu: 25 °C (1) ACD
I-Bioconcentration Factor 1.0 pH 4; Ubushushu: 25 °C (1) ACD
I-Bioconcentration Factor 1.0 pH 5; Ubushushu: 25 °C (1) ACD
I-Bioconcentration Factor 1.0 pH 6; Ubushushu: 25 °C (1) ACD
I-Bioconcentration Factor 1.0 pH 7; Ubushushu: 25 °C (1) ACD
I-Bioconcentration Factor 1.0 pH 8; Ubushushu: 25 °C (1) ACD
I-Bioconcentration Factor 1.0 pH 9; Ubushushu: 25 °C (1) ACD
I-Bioconcentration Factor 1.0 pH 10; Ubushushu: 25 °C (1) ACD

(1) Kubalwa kusetyenziswa uPhuhliso lweKhemistry oluPhezulu (ACD/Labs) iSoftware V11.02 (© 1994-2023 ACD/Labs)

Ikhemikhali

Ipropati Ixabiso Imeko Umthombo
Koc 7.66 pH 1; Ubushushu: 25 °C (1) ACD
Koc 7.66 pH 2; Ubushushu: 25 °C (1) ACD
Koc 7.66 pH 3; Ubushushu: 25 °C (1) ACD
Koc 7.66 pH 4; Ubushushu: 25 °C (1) ACD
Koc 7.66 pH 5; Ubushushu: 25 °C (1) ACD
Koc 7.66 pH 6; Ubushushu: 25 °C (1) ACD
Koc 7.66 pH 7; Ubushushu: 25 °C (1) ACD
Koc 7.66 pH 8; Ubushushu: 25 °C (1) ACD

 

Ipropati Ixabiso Imeko Umthombo
Koc 7.66 pH 9; Ubushushu: 25 °C (1) ACD
Koc 7.64 pH 10; Ubushushu: 25 °C (1) ACD
logD -0.91 pH 1; Ubushushu: 25 °C (1) ACD
logD -0.91 pH 2; Ubushushu: 25 °C (1) ACD
logD -0.91 pH 3; Ubushushu: 25 °C (1) ACD
logD -0.91 pH 4; Ubushushu: 25 °C (1) ACD
logD -0.91 pH 5; Ubushushu: 25 °C (1) ACD
logD -0.91 pH 6; Ubushushu: 25 °C (1) ACD
logD -0.91 pH 7; Ubushushu: 25 °C (1) ACD
logD -0.91 pH 8; Ubushushu: 25 °C (1) ACD
logD -0.91 pH 9; Ubushushu: 25 °C (1) ACD
logD -0.91 pH 10; Ubushushu: 25 °C (1) ACD
logP -0.906±0.555 Ubushushu: 25 °C (1) ACD
Ukunyibilika kweMass Intrinsic 4.7 g/L Ubushushu: 25 °C (1) ACD
Ukunyibilika kobuninzi 4.7 g/L pH 1; Ubushushu: 25 °C (1) ACD
Ukunyibilika kobuninzi 4.7 g/L pH 2; Ubushushu: 25 °C (1) ACD
Ukunyibilika kobuninzi 4.7 g/L pH 3; Ubushushu: 25 °C (1) ACD
Ukunyibilika kobuninzi 4.7 g/L pH 4; Ubushushu: 25 °C (1) ACD
Ukunyibilika kobuninzi 4.7 g/L pH 5; Ubushushu: 25 °C (1) ACD
Ukunyibilika kobuninzi 4.7 g/L pH 6; Ubushushu: 25 °C (1) ACD
Ukunyibilika kobuninzi 4.7 g/L pH 7; Ubushushu: 25 °C (1) ACD
Ukunyibilika kobuninzi 4.7 g/L pH 8; Ubushushu: 25 °C (1) ACD
Ukunyibilika kobuninzi 4.7 g/L pH 9; Ubushushu: 25 °C (1) ACD
Ukunyibilika kobuninzi 4.7 g/L pH 10; Ubushushu: 25 °C (1) ACD
Ukunyibilika kobuninzi 4.7 g/L Amanzi angaphazanyiswanga pH 6.91; Ubushushu: 25 °C (1) ACD
I-Molar Intrinsic Solubility 0.021 mol/L Ubushushu: 25 °C (1) ACD
Ukunyibilika kweMolar 0.021 mol/L pH 1; Ubushushu: 25 °C (1) ACD
Ukunyibilika kweMolar 0.021 mol/L pH 2; Ubushushu: 25 °C (1) ACD
Ukunyibilika kweMolar 0.021 mol/L pH 3; Ubushushu: 25 °C (1) ACD
Ukunyibilika kweMolar 0.021 mol/L pH 4; Ubushushu: 25 °C (1) ACD
Ukunyibilika kweMolar 0.021 mol/L pH 5; Ubushushu: 25 °C (1) ACD
Ukunyibilika kweMolar 0.021 mol/L pH 6; Ubushushu: 25 °C (1) ACD

 

Ipropati Ixabiso Imeko Umthombo
Ukunyibilika kweMolar 0.021 mol/L pH 7; Ubushushu: 25 °C (1) ACD
Ukunyibilika kweMolar 0.021 mol/L pH 8; Ubushushu: 25 °C (1) ACD
Ukunyibilika kweMolar 0.021 mol/L pH 9; Ubushushu: 25 °C (1) ACD
Ukunyibilika kweMolar 0.021 mol/L pH 10; Ubushushu: 25 °C (1) ACD
Ukunyibilika kweMolar 0.021 mol/L Amanzi angaphazanyiswanga pH 6.91; Ubushushu: 25 °C (1) ACD
Ubunzima beMolekyuli 226.19    
pKa 12.55±0.40 Owona bushushu be-Acidic Temp: 25 °C (1) ACD
pKa -4.68±0.60 Eyona Tempile iSiseko: 25 °C (1) ACD
Uxinzelelo lomphunga 3.04 x 10-10 Torr Ubushushu: 25 °C (1) ACD

(1) Kubalwa kusetyenziswa uPhuhliso lweKhemistry oluPhezulu (ACD/Labs) iSoftware V11.02 (© 1994-2023 ACD/Labs)

Ukuxinana

Ipropati Ixabiso Imeko Umthombo
Ukuxinana 2.01±0.1 g/cm3 Ubushushu: 20 °C; Cinezela: 760 Torr (1) ACD
Umthamo weMolar 112.3±7.0 cm3/mol Ubushushu: 20 °C; Cinezela: 760 Torr (1) ACD

(1) Kubalwa kusetyenziswa uPhuhliso lweKhemistry oluPhezulu (ACD/Labs) iSoftware V11.02 (© 1994-2023 ACD/Labs)

Lipinski

Ipropati Ixabiso Imeko Umthombo
Iibhondi eziGuquguqukayo ngokukhululekileyo 3 (1) ACD
H Abamkeli 7 (1) ACD
H Abaxhasi 2 (1) ACD
H Umnikeli/uMamkeli Isambuku 9 (1) ACD
logP -0.906±0.555 Ubushushu: 25 °C (1) ACD
Ubunzima beMolekyuli 226.19

(1) Kubalwa kusetyenziswa uPhuhliso lweKhemistry oluPhezulu (ACD/Labs) iSoftware V11.02 (© 1994-2023 ACD/Labs)

Ulwakhiwo oluNxulumeneyo

Ipropati Ixabiso Umthombo wemeko
Indawo yePolar Surface 91.6 A2 (1) ACD

(1) Kubalwa kusetyenziswa uPhuhliso lweKhemistry oluPhezulu (ACD/Labs) iSoftware V11.02 (© 1994-2023 ACD/Labs)

Thermal

Ipropati Ixabiso Imeko Umthombo
Indawo yokubilisa 456.3±55.0 °C Cinezela: 760 Torr (1) ACD

 

Ipropati Ixabiso Imeko Umthombo
I-Enthalpy yoMphunga 82.62±6.0 kJ/mol Cinezela: 760 Torr (1) ACD
Indawo yokuflasha 229.8±31.5 °C   (1) ACD

(1) Kubalwa kusetyenziswa uPhuhliso lweKhemistry oluPhezulu (ACD/Labs) iSoftware V11.02 (© 1994-2023 ACD/Labs)

ISpectra eqikelelweyo

ISpectra ekhoyo
1 H NMR
13 C NMR

Iingxelo ze-GHS zobungozi

Umthombo weNgxelo yoBubungozi beKhowudi
H302 Kuyingozi ukuba iginyiwe UHlelo lwe-Arhente yeMichiza yaseYurophu (ECHA) kunye nokuFakwa kweLebhile

I-Inventory - Ukuhlelwa kokwaziswa kunye nokuleyibheli-izaziso eziqhelekileyo, i-Arhente yeMichiza yaseYurophu (ECHA)

UHlelo kunye noLuhlu lweZintlu zokuLayibhile - Ulwahlulo olwaziswayo kunye nokuleyibhelishwa - ezona zaziso zinobuzaza


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