ChemSpider 2D Image | 4-Amino-1-[(3aR,6R,6aR)-2-hydroxy-6-(hydroxymethyl)-2-oxidotetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-4-yl]-2(1H)-pyrimidinone | C9H12N3O7P

4-Amino-1-[(3aR,6R,6aR)-2-hydroxy-6-(hydroxymethyl)-2-oxidotetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-4-yl]-2(1H)-pyrimidinone

  • Molecular FormulaC9H12N3O7P
  • Average mass305.181 Da
  • Monoisotopic mass305.041290 Da
  • ChemSpider ID35032090
  • defined stereocentres - 3 of 4 defined stereocentres


More details:






Validated by Experts, Validated by Users, Non-Validated, Removed by Users

2(1H)-Pyrimidinone, 4-amino-1-[(3aR,6R,6aR)-tetrahydro-2-hydroxy-6-(hydroxymethyl)-2-oxidofuro[3,4-d]-1,3,2-dioxaphosphol-4-yl]- [ACD/Index Name]
4-Amino-1-[(3aR,6R,6aR)-2-hydroxy-6-(hydroxymethyl)-2-oxidotetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-4-yl]-2(1H)-pyrimidinon [German] [ACD/IUPAC Name]
4-Amino-1-[(3aR,6R,6aR)-2-hydroxy-6-(hydroxymethyl)-2-oxidotetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-4-yl]-2(1H)-pyrimidinone [ACD/IUPAC Name]
4-Amino-1-[(3aR,6R,6aR)-2-hydroxy-6-(hydroxyméthyl)-2-oxydotétrahydrofuro[3,4-d][1,3,2]dioxaphosphol-4-yl]-2(1H)-pyrimidinone [French] [ACD/IUPAC Name]
1-[(3aR,6R,6aR)-2-hydroxy-6-(hydroxymethyl)-2-oxo-tetrahydro-1,3,5,2λ5-furo[3,4-d][1,3,2λ5]dioxaphosphol-4-yl]-4-aminopyrimidin-2-one
1-[(3aR,6R,6aR)-2-hydroxy-6-(hydroxymethyl)-2-oxo-tetrahydro-2H-1,3,5,2λ5-furo[3,4-d][1,3,2λ5]dioxaphosphol-4-yl]-4-amino-1,2-dihydropyrimidin-2-one
15718-51-1 [RN]
2',3' Cyclic CMP
2',3' Cyclic-CMP
Cyclic(2',3')-CMP
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 2.3±0.1 g/cm3
Boiling Point: 568.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.5 mmHg at 25°C
Enthalpy of Vaporization: 98.0±6.0 kJ/mol
Flash Point: 297.6±32.9 °C
Index of Refraction: 1.853
Molar Refractivity: 59.7±0.5 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 2
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 154 Å2
Polarizability: 23.7±0.5 10-24cm3
Surface Tension: 130.7±7.0 dyne/cm
Molar Volume: 133.4±7.0 cm3

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