ChemSpider 2D Image | 4-{[(1R,2R,3R,4S)-3-(2,4-Dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-2,4-dihydroxycyclopentyl]amino}-4-oxobutanoic acid | C13H17N3O7

4-{[(1R,2R,3R,4S)-3-(2,4-Dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-2,4-dihydroxycyclopentyl]amino}-4-oxobutanoic acid

  • Molecular FormulaC13H17N3O7
  • Average mass327.290 Da
  • Monoisotopic mass327.106659 Da
  • ChemSpider ID78075755

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

4-{[(1R,2R,3R,4S)-3-(2,4-Dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-2,4-dihydroxycyclopentyl]amino}-4-oxobutanoic acid [ACD/IUPAC Name]
4-{[(1R,2R,3R,4S)-3-(2,4-Dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-2,4-dihydroxycyclopentyl]amino}-4-oxobutansäure [German] [ACD/IUPAC Name]
Acide 4-{[(1R,2R,3R,4S)-3-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-2,4-dihydroxycyclopentyl]amino}-4-oxobutanoïque [French] [ACD/IUPAC Name]
Butanoic acid, 4-[[(1R,2R,3R,4S)-3-(3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)-2,4-dihydroxycyclopentyl]amino]-4-oxo- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.650
Molar Refractivity: 74.2±0.4 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: -3.93
ACD/LogD (pH 5.5): -3.86
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.67
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 156 Å2
Polarizability: 29.4±0.5 10-24cm3
Surface Tension: 89.3±5.0 dyne/cm
Molar Volume: 203.6±5.0 cm3

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