ChemSpider 2D Image | 4-Amino-1-[(4aR,6R,7R,7aS)-2,7-dihydroxy-2-oxidotetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-5-isopropyl-2(1H)-pyrimidinone | C12H18N3O7P

4-Amino-1-[(4aR,6R,7R,7aS)-2,7-dihydroxy-2-oxidotetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-5-isopropyl-2(1H)-pyrimidinone

  • Molecular FormulaC12H18N3O7P
  • Average mass347.261 Da
  • Monoisotopic mass347.088226 Da
  • ChemSpider ID34245256

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

2(1H)-Pyrimidinone, 4-amino-5-(1-methylethyl)-1-[(4aR,6R,7R,7aS)-tetrahydro-2,7-dihydroxy-2-oxido-4H-furo[3,2-d]-1,3,2-dioxaphosphorin-6-yl]- [ACD/Index Name]
4-Amino-1-[(4aR,6R,7R,7aS)-2,7-dihydroxy-2-oxidotetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-5-isopropyl-2(1H)-pyrimidinon [German] [ACD/IUPAC Name]
4-Amino-1-[(4aR,6R,7R,7aS)-2,7-dihydroxy-2-oxidotetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-5-isopropyl-2(1H)-pyrimidinone [ACD/IUPAC Name]
4-Amino-1-[(4aR,6R,7R,7aS)-2,7-dihydroxy-2-oxydotétrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-5-isopropyl-2(1H)-pyrimidinone [French] [ACD/IUPAC Name]

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

Density: 1.9±0.1 g/cm3
Boiling Point: 570.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.6 mmHg at 25°C
Enthalpy of Vaporization: 98.3±6.0 kJ/mol
Flash Point: 299.0±32.9 °C
Index of Refraction: 1.749
Molar Refractivity: 73.2±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: 29.0±0.5 10-24cm3
Surface Tension: 88.5±7.0 dyne/cm
Molar Volume: 179.9±7.0 cm3

Click to predict properties on the Chemicalize site


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