ChemSpider 2D Image | Triphosphoric acid, mono[[(1S,2R,3R,4S,5S)-5-(3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)-3,4-dihydroxybicyclo[3.1.0]hex-2-yl]methyl] ester | C11H17N2O14P3

Triphosphoric acid, mono[[(1S,2R,3R,4S,5S)-5-(3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)-3,4-dihydroxybicyclo[3.1.0]hex-2-yl]methyl] ester

  • Molecular FormulaC11H17N2O14P3
  • Average mass494.179 Da
  • Monoisotopic mass493.989258 Da
  • ChemSpider ID25049091

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

Triphosphoric acid, mono[[(1S,2R,3R,4S,5S)-5-(3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)-3,4-dihydroxybicyclo[3.1.0]hex-2-yl]methyl] ester [ACD/Index Name]

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

Density: 2.1±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.690
Molar Refractivity: 88.8±0.3 cm3
#H bond acceptors: 16
#H bond donors: 7
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: -6.59
ACD/LogD (pH 5.5): -12.02
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -12.53
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 279 Å2
Polarizability: 35.2±0.5 10-24cm3
Surface Tension: 140.5±3.0 dyne/cm
Molar Volume: 232.3±3.0 cm3

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