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

vokatra

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

Fampahafantarana fototra:


Product Detail

Tags vokatra

Tsipirian'ny akora

CAS rejistra laharana

3736-77-4

Toetra ara-batana fototra sarobidy toe-javatra
Lanja molekiola 226.19 -
Teboka fandrehitra (andrana) 234-235 °C -
Teboka mangotraka (voavinavina) 456,3±55,0 °C Press: 760 Torr
Density (voavinavina) 2,01±0,1 g/cm3 Mafana: 20 °C; Press: 760 Torr
pKa (voavinavina) 12.55±0.40 Mafana asidra indrindra: 25 °C

Anarana sy famantarana hafa

Canonical SMILES
O=C1N=C2OC3C(O)C(OC3N2C=C1)CO
SMILES Isomerique
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
InChI Key
UUGITDASWNOAGG-CCXZUQQUSA-N
13 Anarana hafa ho an'ity akora ity
(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-one (ACI); 6H-Furo[2′, 3′:4,5]oxazolo[3,2-a]pyrimidine-6-one, 2,3,3a,9a-tetrahydro-3-hydroxy-2-(hydroxymethyl)- (6CI , 7CI); 6H-Furo[2′,3′:4,5]oxazolo[3,2-a] pyrimidine-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]

pyrimidine-6-one, 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

Properties andrana

Properties misy
Optical sy Scattering
mafana

Optical sy Scatering

NY FANANANA sarobidy toe-javatra Source
Herin'ny Rotatory Optical -19 deg Solvent: Metanol; λ: 589,3 nm; Mafana: 26 °C (1) CAS

(1) Codington, John F.; Journal of the American Chemical Society, (1961), 83, 5030-1, CAplus

mafana

NY FANANANA sarobidy toe-javatra Source
Teboka fandoroana 250-253 °C   (1) CAS
Teboka fandoroana 246 °C Solvent: Ethanol; Isopropanol (2) CAS
Teboka fandoroana 242-245 °C   (3) CAS
Teboka fandoroana 242-243 °C   (4) CAS
Teboka fandoroana 236-238 °C (fanimbana)   (5) CAS
Teboka fandoroana 234 °C   (6) CAS
Teboka fandoroana 234-235 °C   (7) CAS
Teboka fandoroana 233-234 °C (fanimbana) Solvent: Metanol (8) CAS
Teboka fandoroana Jereo ny lahatsoratra feno   (9) CAS

(1) Lin, Kun-I.; Journal of the 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.; Journal of Organic Chemistry, (2002), 67(6), 1816-1819, CAplus

(4) Szlenkier, Maurycy; Nucleosides, Nucleotides & Acids Nucleic, (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; Journal of the Chemical Society, (1958), 3035-8, CAplus

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

(9) Codington, John F.; Journal of the American Chemical Society, (1961), 83, 5030-1, CAplus

Spectra andrana

Spectra misy
1 H NMR
13 C NMR
IR
Spectra misy
-bahoaka

Properties vinavinaina

Properties misy
niteraka
simika
hakitroky
Lipinski
Structure Related
mafana

niteraka

NY FANANANA sarobidy toe-javatra Source
Bioconcentration Factor 1.0 pH 1; Mafana: 25 °C (1) ACD
Bioconcentration Factor 1.0 pH 2; Mafana: 25 °C (1) ACD
Bioconcentration Factor 1.0 pH 3; Mafana: 25 °C (1) ACD
Bioconcentration Factor 1.0 pH 4; Mafana: 25 °C (1) ACD
Bioconcentration Factor 1.0 pH 5; Mafana: 25 °C (1) ACD
Bioconcentration Factor 1.0 pH 6; Mafana: 25 °C (1) ACD
Bioconcentration Factor 1.0 pH 7; Mafana: 25 °C (1) ACD
Bioconcentration Factor 1.0 pH 8; Mafana: 25 °C (1) ACD
Bioconcentration Factor 1.0 pH 9; Mafana: 25 °C (1) ACD
Bioconcentration Factor 1.0 pH 10; Mafana: 25 °C (1) ACD

(1) Kajy amin'ny alalan'ny Fampivoarana Chemistry Advanced (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

simika

NY FANANANA sarobidy toe-javatra Source
Koc 7.66 pH 1; Mafana: 25 °C (1) ACD
Koc 7.66 pH 2; Mafana: 25 °C (1) ACD
Koc 7.66 pH 3; Mafana: 25 °C (1) ACD
Koc 7.66 pH 4; Mafana: 25 °C (1) ACD
Koc 7.66 pH 5; Mafana: 25 °C (1) ACD
Koc 7.66 pH 6; Mafana: 25 °C (1) ACD
Koc 7.66 pH 7; Mafana: 25 °C (1) ACD
Koc 7.66 pH 8; Mafana: 25 °C (1) ACD

 

NY FANANANA sarobidy toe-javatra Source
Koc 7.66 pH 9; Mafana: 25 °C (1) ACD
Koc 7.64 pH 10; Mafana: 25 °C (1) ACD
logD -0.91 pH 1; Mafana: 25 °C (1) ACD
logD -0.91 pH 2; Mafana: 25 °C (1) ACD
logD -0.91 pH 3; Mafana: 25 °C (1) ACD
logD -0.91 pH 4; Mafana: 25 °C (1) ACD
logD -0.91 pH 5; Mafana: 25 °C (1) ACD
logD -0.91 pH 6; Mafana: 25 °C (1) ACD
logD -0.91 pH 7; Mafana: 25 °C (1) ACD
logD -0.91 pH 8; Mafana: 25 °C (1) ACD
logD -0.91 pH 9; Mafana: 25 °C (1) ACD
logD -0.91 pH 10; Mafana: 25 °C (1) ACD
logP -0,906±0,555 Mafana: 25 °C (1) ACD
Faobe Intrinsic Solubility 4,7 g/L Mafana: 25 °C (1) ACD
Mass Solubility 4,7 g/L pH 1; Mafana: 25 °C (1) ACD
Mass Solubility 4,7 g/L pH 2; Mafana: 25 °C (1) ACD
Mass Solubility 4,7 g/L pH 3; Mafana: 25 °C (1) ACD
Mass Solubility 4,7 g/L pH 4; Mafana: 25 °C (1) ACD
Mass Solubility 4,7 g/L pH 5; Mafana: 25 °C (1) ACD
Mass Solubility 4,7 g/L pH 6; Mafana: 25 °C (1) ACD
Mass Solubility 4,7 g/L pH 7; Mafana: 25 °C (1) ACD
Mass Solubility 4,7 g/L pH 8; Mafana: 25 °C (1) ACD
Mass Solubility 4,7 g/L pH 9; Mafana: 25 °C (1) ACD
Mass Solubility 4,7 g/L pH 10; Mafana: 25 °C (1) ACD
Mass Solubility 4,7 g/L Rano tsy voaaro pH 6.91; Mafana: 25 °C (1) ACD
Molar intrinsic solubility 0,021 mol/L Mafana: 25 °C (1) ACD
Molar Solubility 0,021 mol/L pH 1; Mafana: 25 °C (1) ACD
Molar Solubility 0,021 mol/L pH 2; Mafana: 25 °C (1) ACD
Molar Solubility 0,021 mol/L pH 3; Mafana: 25 °C (1) ACD
Molar Solubility 0,021 mol/L pH 4; Mafana: 25 °C (1) ACD
Molar Solubility 0,021 mol/L pH 5; Mafana: 25 °C (1) ACD
Molar Solubility 0,021 mol/L pH 6; Mafana: 25 °C (1) ACD

 

NY FANANANA sarobidy toe-javatra Source
Molar Solubility 0,021 mol/L pH 7; Mafana: 25 °C (1) ACD
Molar Solubility 0,021 mol/L pH 8; Mafana: 25 °C (1) ACD
Molar Solubility 0,021 mol/L pH 9; Mafana: 25 °C (1) ACD
Molar Solubility 0,021 mol/L pH 10; Mafana: 25 °C (1) ACD
Molar Solubility 0,021 mol/L Rano tsy voaaro pH 6.91; Mafana: 25 °C (1) ACD
Lanja molekiola 226.19    
pKa 12.55±0.40 Mafana asidra indrindra: 25 °C (1) ACD
pKa -4.68±0.60 Ny mari-pana fototra indrindra: 25 °C (1) ACD
Fanerena ny etona 3.04 x 10-10 Torr Mafana: 25 °C (1) ACD

(1) Kajy amin'ny alalan'ny Fampivoarana Chemistry Advanced (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

hakitroky

NY FANANANA sarobidy toe-javatra Source
hakitroky 2,01±0,1 g/cm3 Mafana: 20 °C; Press: 760 Torr (1) ACD
Boky molar 112.3±7.0 cm3/mol Mafana: 20 °C; Press: 760 Torr (1) ACD

(1) Kajy amin'ny alalan'ny Fampivoarana Chemistry Advanced (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

Lipinski

NY FANANANA sarobidy toe-javatra Source
Fatorana azo ahodina malalaka 3 (1) ACD
H Acceptors 7 (1) ACD
H Mpanome 2 (1) ACD
H Donor/Acceptor Sum 9 (1) ACD
logP -0,906±0,555 Mafana: 25 °C (1) ACD
Lanja molekiola 226.19

(1) Kajy amin'ny alalan'ny Fampivoarana Chemistry Advanced (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

Structure Related

NY FANANANA sarobidy Loharanon'ny toe-javatra
Faritra ambonin'ny polar 91.6 A2 (1) ACD

(1) Kajy amin'ny alalan'ny Fampivoarana Chemistry Advanced (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

mafana

NY FANANANA sarobidy toe-javatra Source
Teboka mangotraka 456,3±55,0 °C Press: 760 Torr (1) ACD

 

NY FANANANA sarobidy toe-javatra Source
Enthalpy de evaporation 82,62±6,0 kJ/mol Press: 760 Torr (1) ACD
Flash point 229,8±31,5 °C   (1) ACD

(1) Kajy amin'ny alalan'ny Fampivoarana Chemistry Advanced (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

Spectra vinavina

Spectra misy
1 H NMR
13 C NMR

Fanambarana lozan'ny GHS

Loharanon'ny fanambarana loza mitatao
H302 Manimba raha atelina Fanasokajiana & fametahana marika Eoropeana Chemical Agency (ECHA).

Inventory - Fanasokajiana sy fametahana fampandrenesana - fampandrenesana mahazatra indrindra, European Chemical Agency (ECHA)

Fanasokajiana & fametahana marika - Fanasokajiana sy fametahana marika - fampandrenesana lehibe indrindra


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