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

alaabta

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

Macluumaadka aasaasiga ah:


Faahfaahinta Alaabta

Tags Product

Faahfaahinta Walaxda

Lambarka Diiwaanka CAS

3736-77-4

Qalabka Jidhka ee Furaha ah Qiimaha Xaalad
Miisaanka Molecular 226.19 -
Meesha dhalaalaysa (Tijaabo) 234-235 °C -
Barta karkarinta (La saadaaliyay) 456.3±55.0 °C Riix: 760 Torr
Cufnaanta (La saadaaliyay) 2.01± 0.1 g/cm3 Heerkulka: 20 °C; Riix: 760 Torr
pKa (La saadaaliyay) 12.55± 0.40 Heerkulka ugu acidic badan: 25 °C

Magacyo Kale iyo Aqoonsiyo

Dhoola-cadaynta Canonical
O=C1N=C2OC3C(O)C(OC3N2C=C1)CO
Dhoola-caddeyn
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
Furaha InChi
UUGITDASWNOAGG-CCXZUQQUSA-N
13 Magacyo kale oo Walaxdan ah
(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-kow (ACI); 6H-Furo[2′, 3′:4,5]oxazolo[3,2-a]pyrimidin-6-one, 2,3,3a,9a-tetrahydro-3-hydroxy-2-(hydroxymethyl)- (6CI) , 7CI); 6H-Furo[2′,3′:4,5]oxazolo[3,2-a] pyrimidin-6-one, 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-hal, 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; 2,2 '-Anhydrouridine; 2,2 '-O-Cyclouridine; NSC 157148; O2,2 '-Anhydrouridine; O2,2 '-Cyclouridine; β -D-2′,2-O-Cycloarabinouridine

Guryaha Tijaabada

Guryaha la heli karo
Aragga iyo firdhinta
Kulul

Aragtida iyo Scatering

Hanti Qiimaha Xaalad Xigasho
Awooda Wareega indhaha -19 deg Miraha: Methanol; λ: 589.3 nm; Heerkulka: 26 °C (1) CAS

(1) Codington, John F.; Joornaalka Ururka Kiimikada Maraykanka, (1961), 83, 5030-1, CAplus

Kulul

Hanti Qiimaha Xaalad Xigasho
Meesha dhalaalaysa 250-253 °C   (1) CAS
Meesha dhalaalaysa 246 °C Miraha: ethanol; isopropanol (2) CAS
Meesha dhalaalaysa 242-245 °C   (3) CAS
Meesha dhalaalaysa 242-243 °C   (4) CAS
Meesha dhalaalaysa 236-238 °C (decomp)   (5) CAS
Meesha dhalaalaysa 234 °C   (6) CAS
Meesha dhalaalaysa 234-235 °C   (7) CAS
Meesha dhalaalaysa 233-234 °C (decomp) Miraha: Methanol (8) CAS
Meesha dhalaalaysa Eeg qoraalka oo dhammaystiran   (9) CAS

(1) Lin, Kun-I.; Wargeyska Ururka Kiimikada Shiinaha (Taipei, Taiwan), (2007), 54 (2), 563-568, CAplus

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

(3) Wnuk, Stanislaw F.; Joornaalka Kiimikada Dabiiciga ah, (2002), 67(6), 1816-1819, CAplus

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

(5) Marumoto, Ryuji; Takeda Kenkyusho Nenpo, (1967), 26, 21-3, CAplus

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

(7) Brown, DM; Joornaalka Bulshada Kiimikada, (1958), 3035-8, CAplus

(8) Li, Heting; Isgaarsiinta synthetic, (2006), 36 (14), 1933-1940, CAplus

(9) Codington, John F.; Joornaalka Ururka Kiimikada Maraykanka, (1961), 83, 5030-1, CAplus

Tijaabada Spectra

Spectra waa la heli karaa
1 H NMR
13 C NMR
IR
Spectra waa la heli karaa
Mass

Guryaha la saadaaliyay

Guryaha la heli karo
Nafley
Kiimiko
Cufnaanta
Lipinski
Qaab-dhismeedka La Xiriira
Kulul

Nafley

Hanti Qiimaha Xaalad Xigasho
Qodobka bioconcentration 1.0 pH 1; Heerkulka: 25 °C (1) ACD
Qodobka bioconcentration 1.0 pH 2; Heerkulka: 25 °C (1) ACD
Qodobka bioconcentration 1.0 pH 3; Heerkulka: 25 °C (1) ACD
Qodobka bioconcentration 1.0 pH 4; Heerkulka: 25 °C (1) ACD
Qodobka bioconcentration 1.0 pH 5; Heerkulka: 25 °C (1) ACD
Qodobka bioconcentration 1.0 pH 6; Heerkulka: 25 °C (1) ACD
Qodobka bioconcentration 1.0 pH 7; Heerkulka: 25 °C (1) ACD
Qodobka bioconcentration 1.0 pH 8; Heerkulka: 25 °C (1) ACD
Qodobka bioconcentration 1.0 pH 9; Heerkulka: 25 °C (1) ACD
Qodobka bioconcentration 1.0 pH 10; Heerkulka: 25 °C (1) ACD

(1) Waxaa la xisaabiyay iyadoo la isticmaalayo Horumarinta Kiimikada Sare (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

Kiimiko

Hanti Qiimaha Xaalad Xigasho
Koc 7.66 pH 1; Heerkulka: 25 °C (1) ACD
Koc 7.66 pH 2; Heerkulka: 25 °C (1) ACD
Koc 7.66 pH 3; Heerkulka: 25 °C (1) ACD
Koc 7.66 pH 4; Heerkulka: 25 °C (1) ACD
Koc 7.66 pH 5; Heerkulka: 25 °C (1) ACD
Koc 7.66 pH 6; Heerkulka: 25 °C (1) ACD
Koc 7.66 pH 7; Heerkulka: 25 °C (1) ACD
Koc 7.66 pH 8; Heerkulka: 25 °C (1) ACD

 

Hanti Qiimaha Xaalad Xigasho
Koc 7.66 pH 9; Heerkulka: 25 °C (1) ACD
Koc 7.64 pH 10; Heerkulka: 25 °C (1) ACD
logD -0.91 pH 1; Heerkulka: 25 °C (1) ACD
logD -0.91 pH 2; Heerkulka: 25 °C (1) ACD
logD -0.91 pH 3; Heerkulka: 25 °C (1) ACD
logD -0.91 pH 4; Heerkulka: 25 °C (1) ACD
logD -0.91 pH 5; Heerkulka: 25 °C (1) ACD
logD -0.91 pH 6; Heerkulka: 25 °C (1) ACD
logD -0.91 pH 7; Heerkulka: 25 °C (1) ACD
logD -0.91 pH 8; Heerkulka: 25 °C (1) ACD
logD -0.91 pH 9; Heerkulka: 25 °C (1) ACD
logD -0.91 pH 10; Heerkulka: 25 °C (1) ACD
logP -0.906±0.555 Heerkulka: 25 °C (1) ACD
Solubility Mass Intrinsic 4.7 g/L Heerkulka: 25 °C (1) ACD
Xalka tirada badan 4.7 g/L pH 1; Heerkulka: 25 °C (1) ACD
Xalka tirada badan 4.7 g/L pH 2; Heerkulka: 25 °C (1) ACD
Xalka tirada badan 4.7 g/L pH 3; Heerkulka: 25 °C (1) ACD
Xalka tirada badan 4.7 g/L pH 4; Heerkulka: 25 °C (1) ACD
Xalka tirada badan 4.7 g/L pH 5; Heerkulka: 25 °C (1) ACD
Xalka tirada badan 4.7 g/L pH 6; Heerkulka: 25 °C (1) ACD
Xalka tirada badan 4.7 g/L pH 7; Heerkulka: 25 °C (1) ACD
Xalka tirada badan 4.7 g/L pH 8; Heerkulka: 25 °C (1) ACD
Xalka tirada badan 4.7 g/L pH 9; Heerkulka: 25 °C (1) ACD
Xalka tirada badan 4.7 g/L pH 10; Heerkulka: 25 °C (1) ACD
Xalka tirada badan 4.7 g/L Biyaha aan la daboolin pH 6.91; Heerkulka: 25 °C (1) ACD
Solubility Intrinsic Molar 0.021 mol/L Heerkulka: 25 °C (1) ACD
Solubility Molar 0.021 mol/L pH 1; Heerkulka: 25 °C (1) ACD
Solubility Molar 0.021 mol/L pH 2; Heerkulka: 25 °C (1) ACD
Solubility Molar 0.021 mol/L pH 3; Heerkulka: 25 °C (1) ACD
Solubility Molar 0.021 mol/L pH 4; Heerkulka: 25 °C (1) ACD
Solubility Molar 0.021 mol/L pH 5; Heerkulka: 25 °C (1) ACD
Solubility Molar 0.021 mol/L pH 6; Heerkulka: 25 °C (1) ACD

 

Hanti Qiimaha Xaalad Xigasho
Solubility Molar 0.021 mol/L pH 7; Heerkulka: 25 °C (1) ACD
Solubility Molar 0.021 mol/L pH 8; Heerkulka: 25 °C (1) ACD
Solubility Molar 0.021 mol/L pH 9; Heerkulka: 25 °C (1) ACD
Solubility Molar 0.021 mol/L pH 10; Heerkulka: 25 °C (1) ACD
Solubility Molar 0.021 mol/L Biyaha aan la daboolin pH 6.91; Heerkulka: 25 °C (1) ACD
Miisaanka Molecular 226.19    
pKa 12.55± 0.40 Heerkulka ugu acidic badan: 25 °C (1) ACD
pKa -4.68±0.60 Heerkulka ugu badan ee aasaasiga ah: 25 °C (1) ACD
Cadaadis uumiga 3.04 x 10-10 Torr Heerkulka: 25 °C (1) ACD

(1) Waxaa la xisaabiyay iyadoo la isticmaalayo Horumarinta Kiimikada Sare (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

Cufnaanta

Hanti Qiimaha Xaalad Xigasho
Cufnaanta 2.01± 0.1 g/cm3 Heerkulka: 20 °C; Riix: 760 Torr (1) ACD
Mugga Molar 112.3 ± 7.0 cm3 / mol Heerkulka: 20 °C; Riix: 760 Torr (1) ACD

(1) Waxaa la xisaabiyay iyadoo la isticmaalayo Horumarinta Kiimikada Sare (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

Lipinski

Hanti Qiimaha Xaalad Xigasho
Boondhigyo si xor ah loo wareejin karo 3 (1) ACD
H Aqbalayaasha 7 (1) ACD
H Deeq-bixiyayaasha 2 (1) ACD
Ku-deeqaha/Aqbalka Wadarta 9 (1) ACD
logP -0.906±0.555 Heerkulka: 25 °C (1) ACD
Miisaanka Molecular 226.19

(1) Waxaa la xisaabiyay iyadoo la isticmaalayo Horumarinta Kiimikada Sare (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

Qaab-dhismeedka La Xiriira

Hanti Qiimaha Isha Xaaladda
Aagga dusha sare ee Polar 91.6 A2 (1) ACD

(1) Waxaa la xisaabiyay iyadoo la isticmaalayo Horumarinta Kiimikada Sare (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

Kulul

Hanti Qiimaha Xaalad Xigasho
Barta Karsan 456.3±55.0 °C Riix: 760 Torr (1) ACD

 

Hanti Qiimaha Xaalad Xigasho
Enthalpy of uumiga 82.62± 6.0 kJ/mol Riix: 760 Torr (1) ACD
Barta Fiishka 229.8± 31.5 °C   (1) ACD

(1) Waxaa la xisaabiyay iyadoo la isticmaalayo Horumarinta Kiimikada Sare (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

Spectra la saadaaliyay

Spectra waa la heli karaa
1 H NMR
13 C NMR

Bayaannada Khatarta GHS

Isha Bayaanka Khatarta Koodhka
H302 Waxyeelo ayay leedahay haddii la liqo Kala soocidda & calaamadaynta Wakaaladda Kiimikada Yurub (ECHA).

Inventory - Kala soocida la ogeysiiyay iyo calaamadaynta - ogeysiisyada ugu caansan, Wakaaladda Kiimikada Yurub (ECHA)

Kala-saarid&Alaab-qoritaan - Kala saarid la ogeysiiyay iyo calaamadeynta - ogeysiisyada ugu daran


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