ChemSpider 2D Image | 4-Amino-5-bromo-1-[(4aR,6R,7R,7aS)-2,2,7-trihydroxytetrahydro-4H-2lambda~5~-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-2(1H)-pyrimidinone | C9H13BrN3O7P

4-Amino-5-bromo-1-[(4aR,6R,7R,7aS)-2,2,7-trihydroxytetrahydro-4H-2λ5-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-2(1H)-pyrimidinone

  • Molecular FormulaC9H13BrN3O7P
  • Average mass386.093 Da
  • Monoisotopic mass384.967438 Da
  • ChemSpider ID34247510

  • 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-bromo-1-[(4aR,6R,7R,7aS)-2,2,4a,6,7,7a-hexahydro-2,2,7-trihydroxy-4H-furo[3,2-d]-1,3,2-dioxaphosphorin-6-yl]- [ACD/Index Name]
4-Amino-5-brom-1-[(4aR,6R,7R,7aS)-2,2,7-trihydroxytetrahydro-4H-2λ5-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-2(1H)-pyrimidinon [German] [ACD/IUPAC Name]
4-Amino-5-bromo-1-[(4aR,6R,7R,7aS)-2,2,7-trihydroxytetrahydro-4H-2λ5-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-2(1H)-pyrimidinone [ACD/IUPAC Name]
4-Amino-5-bromo-1-[(4aR,6R,7R,7aS)-2,2,7-trihydroxytétrahydro-4H-2λ5-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-2(1H)-pyrimidinone [French] [ACD/IUPAC Name]

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

Density: 2.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.889
Molar Refractivity: 67.3±0.5 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 1
#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: 147 Å2
Polarizability: 26.7±0.5 10-24cm3
Surface Tension: 131.9±7.0 dyne/cm
Molar Volume: 145.9±7.0 cm3

Click to predict properties on the Chemicalize site


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