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

ngwaahịa

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

Ozi bụ isi:


Nkọwa ngwaahịa

Mkpado ngwaahịa

Nkọwa ihe

Nọmba ndekọ CAS

3736-77-4

Njirimara anụ ahụ igodo Uru Ọnọdụ
Ibu molekụla 226.19 -
Ebe mgbaze (nnwale) 234-235 Celsius C -
Ebe a na-esi esi esi (buru amụma) 456.3±55.0C Pịa: 760 Torr
Njupụta (buru amụma) 2.01±0.1 g/cm3 Okpomọkụ: 20 °C; Pịa: 760 Torr
pKa (buru amụma) 12.55± 0.40 Okpomọkụ kachasị acidic: 25 Celsius

Aha ndị ọzọ na njirimara

Ọchịchị Canonical
O=C1N=C2OC3C(O)C(OC3N2C=C1)CO
Isomeric SMILES
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
Igodo InChi
UGITDASWNOAGG-CCXZUQQUSA-N
13 Aha ndị ọzọ maka ihe a
(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-otu (ACI); 6H-Furo[2′, 3′:4,5]oxazolo[3,2-a]pyrimidin-6-otu, 2,3,3a,9a-tetrahydro-3-hydroxy-2-(hydroxymethyl) - (6CI) , 7CI); 6H-Furo[2′,3′:4,5]oxazolo[3,2-a] pyrimidin-6-otu, 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-otu, 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

Njirimara nnwale

Ngwongwo dị
Optical na agbasasị
Thermal

Optical na scatering

Ngwongwo Uru Ọnọdụ Isi mmalite
Ike ntụgharị anya -19 deg Ihe mgbaze: methanol; λ: 589.3 nm; Okpomọkụ: 26 Celsius C (1) CAS

(1) Codington, John F.; Akwụkwọ akụkọ nke American Chemical Society, (1961), 83, 5030-1, CAplus

Thermal

Ngwongwo Uru Ọnọdụ Isi mmalite
Ebe mgbaze 250-253 Celsius C   (1) CAS
Ebe mgbaze 246 Celsius C Ihe mgbaze: ethanol; Isopropanol (2) CAS
Ebe mgbaze 242-245 Celsius C   (3) CAS
Ebe mgbaze 242-243 Celsius C   (4) CAS
Ebe mgbaze 236-238C (decomp)   (5) CAS
Ebe mgbaze 234 Celsius C   (6) CAS
Ebe mgbaze 234-235 Celsius C   (7) CAS
Ebe mgbaze 233-234C (decomp) Ihe mgbaze: methanol (8) CAS
Ebe mgbaze Lee ederede zuru oke   (9) CAS

(1) Lin, Kun-I.; Akwụkwọ akụkọ nke Chinese Chemical Society (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.; Akwụkwọ akụkọ nke Organic Chemistry, (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; Akwụkwọ akụkọ nke Chemical Society, (1958), 3035-8, CAplus

(8) Li, Heting; Nkwukọrịta sịntetik, (2006), 36 (14), 1933-1940, CAplus

(9) Codington, John F.; Akwụkwọ akụkọ nke American Chemical Society, (1961), 83, 5030-1, CAplus

Spectra nnwale

Spectra dị
1H NMR
13C NMR
IR
Spectra dị
Mass

Njirimara amụma

Ngwongwo dị
Usoro ndu
Chemical
Njupụta
Lipinski
Ọdịdị metụtara
Thermal

Usoro ndu

Ngwongwo Uru Ọnọdụ Isi mmalite
Ihe kpatara bioconcentration 1.0 pH 1; Okpomọkụ: 25 Celsius C (1) ACD
Ihe kpatara bioconcentration 1.0 pH 2; Okpomọkụ: 25 Celsius C (1) ACD
Ihe kpatara bioconcentration 1.0 pH 3; Okpomọkụ: 25 Celsius C (1) ACD
Ihe kpatara bioconcentration 1.0 pH 4; Okpomọkụ: 25 Celsius C (1) ACD
Ihe kpatara bioconcentration 1.0 pH 5; Okpomọkụ: 25 Celsius C (1) ACD
Ihe kpatara bioconcentration 1.0 pH 6; Okpomọkụ: 25 Celsius C (1) ACD
Ihe kpatara bioconcentration 1.0 pH 7; Okpomọkụ: 25 Celsius C (1) ACD
Ihe kpatara bioconcentration 1.0 pH 8; Okpomọkụ: 25 Celsius C (1) ACD
Ihe kpatara bioconcentration 1.0 pH 9; Okpomọkụ: 25 Celsius C (1) ACD
Ihe kpatara bioconcentration 1.0 pH 10; Okpomọkụ: 25 Celsius C (1) ACD

(1) Gbakọọ site na iji Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

Chemical

Ngwongwo Uru Ọnọdụ Isi mmalite
Koc 7.66 pH 1; Okpomọkụ: 25 Celsius C (1) ACD
Koc 7.66 pH 2; Okpomọkụ: 25 Celsius C (1) ACD
Koc 7.66 pH 3; Okpomọkụ: 25 Celsius C (1) ACD
Koc 7.66 pH 4; Okpomọkụ: 25 Celsius C (1) ACD
Koc 7.66 pH 5; Okpomọkụ: 25 Celsius C (1) ACD
Koc 7.66 pH 6; Okpomọkụ: 25 Celsius C (1) ACD
Koc 7.66 pH 7; Okpomọkụ: 25 Celsius C (1) ACD
Koc 7.66 pH 8; Okpomọkụ: 25 Celsius C (1) ACD

 

Ngwongwo Uru Ọnọdụ Isi mmalite
Koc 7.66 pH 9; Okpomọkụ: 25 Celsius C (1) ACD
Koc 7.64 pH 10; Okpomọkụ: 25 Celsius C (1) ACD
logD -0.91 pH 1; Okpomọkụ: 25 Celsius C (1) ACD
logD -0.91 pH 2; Okpomọkụ: 25 Celsius C (1) ACD
logD -0.91 pH 3; Okpomọkụ: 25 Celsius C (1) ACD
logD -0.91 pH 4; Okpomọkụ: 25 Celsius C (1) ACD
logD -0.91 pH 5; Okpomọkụ: 25 Celsius C (1) ACD
logD -0.91 pH 6; Okpomọkụ: 25 Celsius C (1) ACD
logD -0.91 pH 7; Okpomọkụ: 25 Celsius C (1) ACD
logD -0.91 pH 8; Okpomọkụ: 25 Celsius C (1) ACD
logD -0.91 pH 9; Okpomọkụ: 25 Celsius C (1) ACD
logD -0.91 pH 10; Okpomọkụ: 25 Celsius C (1) ACD
logP -0.906±0.555 Okpomọkụ: 25 Celsius C (1) ACD
Ọkachamara Solubility dị n'ime 4.7 g/L Okpomọkụ: 25 Celsius C (1) ACD
Uka Solubility 4.7 g/L pH 1; Okpomọkụ: 25 Celsius C (1) ACD
Uka Solubility 4.7 g/L pH 2; Okpomọkụ: 25 Celsius C (1) ACD
Uka Solubility 4.7 g/L pH 3; Okpomọkụ: 25 Celsius C (1) ACD
Uka Solubility 4.7 g/L pH 4; Okpomọkụ: 25 Celsius C (1) ACD
Uka Solubility 4.7 g/L pH 5; Okpomọkụ: 25 Celsius C (1) ACD
Uka Solubility 4.7 g/L pH 6; Okpomọkụ: 25 Celsius C (1) ACD
Uka Solubility 4.7 g/L pH 7; Okpomọkụ: 25 Celsius C (1) ACD
Uka Solubility 4.7 g/L pH 8; Okpomọkụ: 25 Celsius C (1) ACD
Uka Solubility 4.7 g/L pH 9; Okpomọkụ: 25 Celsius C (1) ACD
Uka Solubility 4.7 g/L pH 10; Okpomọkụ: 25 Celsius C (1) ACD
Uka Solubility 4.7 g/L Mmiri na-enweghị atụ pH 6.91; Okpomọkụ: 25 Celsius C (1) ACD
Solubility dị n'ime Molar 0.021 mol / l Okpomọkụ: 25 Celsius C (1) ACD
Solubility Molar 0.021 mol / l pH 1; Okpomọkụ: 25 Celsius C (1) ACD
Solubility Molar 0.021 mol / l pH 2; Okpomọkụ: 25 Celsius C (1) ACD
Solubility Molar 0.021 mol / l pH 3; Okpomọkụ: 25 Celsius C (1) ACD
Solubility Molar 0.021 mol / l pH 4; Okpomọkụ: 25 Celsius C (1) ACD
Solubility Molar 0.021 mol / l pH 5; Okpomọkụ: 25 Celsius C (1) ACD
Solubility Molar 0.021 mol / l pH 6; Okpomọkụ: 25 Celsius C (1) ACD

 

Ngwongwo Uru Ọnọdụ Isi mmalite
Solubility Molar 0.021 mol / l pH 7; Okpomọkụ: 25 Celsius C (1) ACD
Solubility Molar 0.021 mol / l pH 8; Okpomọkụ: 25 Celsius C (1) ACD
Solubility Molar 0.021 mol / l pH 9; Okpomọkụ: 25 Celsius C (1) ACD
Solubility Molar 0.021 mol / l pH 10; Okpomọkụ: 25 Celsius C (1) ACD
Solubility Molar 0.021 mol / l Mmiri na-enweghị atụ pH 6.91; Okpomọkụ: 25 Celsius C (1) ACD
Ibu molekụla 226.19    
pKa 12.55± 0.40 Okpomọkụ kachasị acidic: 25 Celsius (1) ACD
pKa -4.68±0.60 Okpomọkụ kachasị mma: 25 Celsius (1) ACD
Uzuoku Nrụgide 3.04 x 10-10 Torr Okpomọkụ: 25 Celsius C (1) ACD

(1) Gbakọọ site na iji Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

Njupụta

Ngwongwo Uru Ọnọdụ Isi mmalite
Njupụta 2.01±0.1 g/cm3 Okpomọkụ: 20 °C; Pịa: 760 Torr (1) ACD
Olu Molar 112.3 ± 7.0 cm3 / mol Okpomọkụ: 20 °C; Pịa: 760 Torr (1) ACD

(1) Gbakọọ site na iji Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

Lipinski

Ngwongwo Uru Ọnọdụ Isi mmalite
Nkwekọrịta na-agbanwe agbanwe n'efu 3 (1) ACD
H Ndị nnabata 7 (1) ACD
H Ndị na-enye onyinye 2 (1) ACD
H Donor/Anabata Nchikota 9 (1) ACD
logP -0.906±0.555 Okpomọkụ: 25 Celsius C (1) ACD
Ibu molekụla 226.19

(1) Gbakọọ site na iji Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

Ọdịdị metụtara

Ngwongwo Uru Isi mmalite ọnọdụ
Mpaghara elu elu 91.6 A2 (1) ACD

(1) Gbakọọ site na iji Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

Thermal

Ngwongwo Uru Ọnọdụ Isi mmalite
Ebe esi nri 456.3±55.0C Pịa: 760 Torr (1) ACD

 

Ngwongwo Uru Ọnọdụ Isi mmalite
Enthalpy nke Vaporization 82.62± 6.0 kJ/mol Pịa: 760 Torr (1) ACD
Ebe mgbari 229.8±31.5C   (1) ACD

(1) Gbakọọ site na iji Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

Spectra buru amụma

Spectra dị
1H NMR
13C NMR

Nkwupụta egwu GHS

Isi mmalite nkwupụta egwu koodu
H302 na-emerụ ma ọ bụrụ na iloro ya European Chemical Agency (ECHA) nhazi ọkwa na akara aha

Ndepụta Ngwaahịa - Nhazi ọkwa na ntinye aha - ọkwa kachasị, European Chemical Agency (ECHA)

Nhazi&Ngwakọta aha - Nhazi ọkwa na ntinye aha - ọkwa kacha njọ


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