ChemSpider 2D Image | 4-Amino-1-[2-hydroxy-6-(hydroxymethyl)-2-oxidotetrahydrofuro[3,4-d][1,3,2]oxathiaphosphol-4-yl]-2(1H)-pyrimidinone | C9H12N3O6PS

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

  • Molecular FormulaC9H12N3O6PS
  • Average mass321.247 Da
  • Monoisotopic mass321.018433 Da
  • ChemSpider ID28574872

More details:

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

2(1H)-Pyrimidinone, 4-amino-1-[tetrahydro-2-hydroxy-6-(hydroxymethyl)-2-oxidofuro[3,4-d]-1,3,2-oxathiaphosphol-4-yl]- [ACD/Index Name]
4-Amino-1-[2-hydroxy-6-(hydroxymethyl)-2-oxidotetrahydrofuro[3,4-d][1,3,2]oxathiaphosphol-4-yl]-2(1H)-pyrimidinon [German] [ACD/IUPAC Name]
4-Amino-1-[2-hydroxy-6-(hydroxymethyl)-2-oxidotetrahydrofuro[3,4-d][1,3,2]oxathiaphosphol-4-yl]-2(1H)-pyrimidinone [ACD/IUPAC Name]
4-Amino-1-[2-hydroxy-6-(hydroxyméthyl)-2-oxydotétrahydrofuro[3,4-d][1,3,2]oxathiaphosphol-4-yl]-2(1H)-pyrimidinone [French] [ACD/IUPAC Name]
4-AMINO-1-[(3AR,4R,6R,6AR)-2-HYDROXY-6-(HYDROXYMETHYL)-2-OXIDOTETRAHYDROFURO[3,4-D][1,3,2]OXATHIAPHOSPHOL-4-YL]PYRIMIDIN-2(1H)-ONE
6675-28-1 [RN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 2.3±0.1 g/cm3
Boiling Point: 612.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.0 mmHg at 25°C
Enthalpy of Vaporization: 104.3±6.0 kJ/mol
Flash Point: 324.3±34.3 °C
Index of Refraction: 1.907
Molar Refractivity: 66.2±0.5 cm3
#H bond acceptors: 9
#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: 170 Å2
Polarizability: 26.2±0.5 10-24cm3
Surface Tension: 134.3±7.0 dyne/cm
Molar Volume: 141.4±7.0 cm3

Click to predict properties on the Chemicalize site


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