C10H12N2O5 6H-Furo[2′,3′:4,5]oxazolo[3,2-a]pyrimidina-6-iray, 2,3,3a,9a-tetrah ydro-3-hydroxy-2-(hydroxymethyl)- 7-methyl-, (2R,3 R,3aS,9aR)- (9CI, ACI)

vokatra

C10H12N2O5 6H-Furo[2′,3′:4,5]oxazolo[3,2-a]pyrimidina-6-iray, 2,3,3a,9a-tetrah ydro-3-hydroxy-2-(hydroxymethyl)- 7-methyl-, (2R,3 R,3aS,9aR)- (9CI, ACI)

Fampahafantarana fototra:


Product Detail

Tags vokatra

Tsipirian'ny akora

CAS rejistra laharana

22423-26-3

Toetra ara-batana fototra sarobidy toe-javatra
Lanja molekiola 240.21 -
Teboka fandrehitra (andrana) 218 °C Solvent: Ethanol; Isopropanol
Teboka mangotraka (voavinavina) 452.0±55.0 °C Press: 760 Torr
Density (voavinavina) 1,88±0,1 g/cm3 Mafana: 20 °C; Press: 760 Torr
pKa (voavinavina) 12.56±0.60 Mafana asidra indrindra: 25 °C

Anarana sy famantarana hafa

Canonical SMILES

O=C1N=C2OC3C(O)C(OC3N2C=C1C)CO

SMILES Isomerique

O[C@H]1[C@]2([C@](N3C(O2)= NC(=O)C(C)=C3)(O[C@@H]1CO)[H])[ H]

InChI

InChI= 1S/C10H12N2O5/c1-4-2-12-9-7(6(14)5(3-13)16-9)17-10(12)11-8(4)15/h2,5- 7,9,13-14H,3H2,1H3/t5-,6-,7+,9-/m1/s1

InChI Key

WLLOAUCNUMYOQI-JAGXHNFQSA-N

17 Anarana hafa ho an'ity akora ity

(2R,3 R,3aS,9aR)-2,3,3a,9a-Tetrahydro-3-hydroxy-2-(hydroxymethyl)-7-methyl-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)-7-methyl- (6CI, 7CI, 8CI); 6H-Furo

[2′,3′:4,5]oxazolo[3,2-a]pyrimidine-6-one, 2,3,3a,9a-tetrahydro-3-hydroxy-2-(hydroxymethyl)-7-methyl-, [2R-(2α,3β,3aβ,9aβ)]- (ZCI);

11: PN: US20040014699 PEJY: 18 milaza ADN; 12: PN: US20040005565 PEJY: 17- 22 milaza ADN; 12: PN: US20040005570 PEJY: 18 milaza fa ADN; 12: PN: US20040006029 PEJY: 21 milaza ADN; 12: PN: US20040014051 PEJY: 21 milaza ADN; 1: PN: WO20050 06958 PEJY: 59 milaza ADN; 2,2′ -Anhydro(1- β -D-arabinofuranosyl)- 5-methyluracil; 3: PN: WO2005007825 PEJY: 59 milaza ADN; 84: PN: US20040005707 PEJY: 18 milaza fa ADN; 9: PN: US20040014048 PEJY: 19 milaza fa ADN; 9: PN: US20040014049 PEJY: 19

milaza ADN;O2,2′ -Anhydro-5-methyluridine; O2,2′ -Anhydro-5-methyluridine; TK 112690

Properties andrana

Properties misy
mafana

mafana

NY FANANANA sarobidy toe-javatra Source
Teboka mitsonika 240-242 °C (1) CAS
Teboka mitsonika 218 °C Solvent: Ethanol; Isopropanol (2) CAS
Teboka mitsonika Jereo ny lahatsoratra feno (3) CAS
Teboka mitsonika Jereo ny lahatsoratra feno (4) CAS

(1) Oliveira, Maralise P.; Journal of the Brazilian Chemical Society, (2015), 26(4), 816-821, CAplus

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

(3) Manoharana, Muthiah; US20030088079, A1, 2003, CAplus

(4) Miraglia, Loren J.; WO2003048315, A2, 2003, CAplus

Spectra andrana

Spectra misy
1 H NMR
13 C NMR
Hetero NMR
-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 12.9 pH 1; Mafana: 25 °C (1) ACD
Koc 12.9 pH 2; Mafana: 25 °C (1) ACD
Koc 12.9 pH 3; Mafana: 25 °C (1) ACD
Koc 12.9 pH 4; Mafana: 25 °C (1) ACD
Koc 12.9 pH 5; Mafana: 25 °C (1) ACD
Koc 12.9 pH 6; Mafana: 25 °C (1) ACD
Koc 12.9 pH 7; Mafana: 25 °C (1) ACD
Koc 12.9 pH 8; Mafana: 25 °C (1) ACD
Koc 12.9 pH 9; Mafana: 25 °C (1) ACD
Koc 12.9 pH 10; Mafana: 25 °C (1) ACD
logD -0.49 pH 1; Mafana: 25 °C (1) ACD
logD -0.49 pH 2; Mafana: 25 °C (1) ACD
logD -0.49 pH 3; Mafana: 25 °C (1) ACD
logD -0.49 pH 4; Mafana: 25 °C (1) ACD
logD -0.49 pH 5; Mafana: 25 °C (1) ACD
logD -0.49 pH 6; Mafana: 25 °C (1) ACD
logD -0.49 pH 7; Mafana: 25 °C (1) ACD
logD -0.49 pH 8; Mafana: 25 °C (1) ACD
logD -0.49 pH 9; Mafana: 25 °C (1) ACD
logD -0.49 pH 10; Mafana: 25 °C (1) ACD

 

NY FANANANA sarobidy toe-javatra Source
logP -0,491±0,556 Mafana: 25 °C (1) ACD
Faobe Intrinsic Solubility 3,1 g/L Mafana: 25 °C (1) ACD
Mass Solubility 3,1 g/L pH 1; Mafana: 25 °C (1) ACD
Mass Solubility 3,1 g/L pH 2; Mafana: 25 °C (1) ACD
Mass Solubility 3,1 g/L pH 3; Mafana: 25 °C (1) ACD
Mass Solubility 3,1 g/L pH 4; Mafana: 25 °C (1) ACD
Mass Solubility 3,1 g/L pH 5; Mafana: 25 °C (1) ACD
Mass Solubility 3,1 g/L pH 6; Mafana: 25 °C (1) ACD
Mass Solubility 3,1 g/L pH 7; Mafana: 25 °C (1) ACD
Mass Solubility 3,1 g/L pH 8; Mafana: 25 °C (1) ACD
Mass Solubility 3,1 g/L pH 9; Mafana: 25 °C (1) ACD
Mass Solubility 3,1 g/L pH 10; Mafana: 25 °C (1) ACD
Mass Solubility 3,1 g/L Rano tsy voatazona pH 6.94; Mafana: 25 °C (1) ACD
Molar intrinsic solubility 0,013 mol/L Mafana: 25 °C (1) ACD
Molar Solubility 0,013 mol/L pH 1; Mafana: 25 °C (1) ACD
Molar Solubility 0,013 mol/L pH 2; Mafana: 25 °C (1) ACD
Molar Solubility 0,013 mol/L pH 3; Mafana: 25 °C (1) ACD
Molar Solubility 0,013 mol/L pH 4; Mafana: 25 °C (1) ACD
Molar Solubility 0,013 mol/L pH 5; Mafana: 25 °C (1) ACD
Molar Solubility 0,013 mol/L pH 6; Mafana: 25 °C (1) ACD
Molar Solubility 0,013 mol/L pH 7; Mafana: 25 °C (1) ACD
Molar Solubility 0,013 mol/L pH 8; Mafana: 25 °C (1) ACD
Molar Solubility 0,013 mol/L pH 9; Mafana: 25 °C (1) ACD
Molar Solubility 0,013 mol/L pH 10; Mafana: 25 °C (1) ACD
Molar Solubility 0,013 mol/L Rano tsy voatazona pH 6.94; Mafana: 25 °C (1) ACD
Lanja molekiola 240.21    
pKa 12.56±0.60 Mafana asidra indrindra: 25 °C (1) ACD
pKa -4.36±0.60 Ny mari-pana fototra indrindra: 25 °C (1) ACD
Fanerena ny etona 4.54 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)

NY FANANANA sarobidy toe-javatra Source
hakitroky 1,88±0,1 g/cm3 Mafana: 20 °C; Press: 760 Torr (1) ACD
Boky molar 127.5±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 -0,491±0,556 Mafana: 25 °C (1) ACD
Lanja molekiola 240.21    

(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 452.0±55.0 °C Press: 760 Torr (1) ACD
Enthalpy de evaporation 82,04±6,0 kJ/mol Press: 760 Torr (1) ACD
Flash point 227.2±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 ⁿ
1 H NMR
13 C NMR


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