ChemSpider 2D Image | {2-[(1S,2R,3S,4R,5S)-4-(2,4-Dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-2,3-dihydroxybicyclo[3.1.0]hex-1-yl]ethyl}phosphonic acid | C12H17N2O7P

{2-[(1S,2R,3S,4R,5S)-4-(2,4-Dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-2,3-dihydroxybicyclo[3.1.0]hex-1-yl]ethyl}phosphonic acid

  • Molecular FormulaC12H17N2O7P
  • Average mass332.246 Da
  • Monoisotopic mass332.077332 Da
  • ChemSpider ID28498826

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

{2-[(1S,2R,3S,4R,5S)-4-(2,4-Dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-2,3-dihydroxybicyclo[3.1.0]hex-1-yl]ethyl}phosphonic acid [ACD/IUPAC Name]
{2-[(1S,2R,3S,4R,5S)-4-(2,4-Dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-2,3-dihydroxybicyclo[3.1.0]hex-1-yl]ethyl}phosphonsäure [German] [ACD/IUPAC Name]
Acide {2-[(1S,2R,3S,4R,5S)-4-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-2,3-dihydroxybicyclo[3.1.0]hex-1-yl]éthyl}phosphonique [French] [ACD/IUPAC Name]
Phosphonic acid, [2-[(1S,2R,3S,4R,5S)-4-(3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)-2,3-dihydroxybicyclo[3.1.0]hex-1-yl]ethyl]- [ACD/Index Name]

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

Density: 1.8±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.691
Molar Refractivity: 71.3±0.3 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: -4.43
ACD/LogD (pH 5.5): -6.49
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.26
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 157 Å2
Polarizability: 28.3±0.5 10-24cm3
Surface Tension: 108.9±3.0 dyne/cm
Molar Volume: 186.4±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement