ChemSpider 2D Image | 5-{[(1R,2R,3R,4R)-2,3-Dihydroxy-4-(5-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)cyclohexyl]amino}-5-oxopentanoic acid | C16H23N3O7

5-{[(1R,2R,3R,4R)-2,3-Dihydroxy-4-(5-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)cyclohexyl]amino}-5-oxopentanoic acid

  • Molecular FormulaC16H23N3O7
  • Average mass369.370 Da
  • Monoisotopic mass369.153595 Da
  • ChemSpider ID68387250

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

5-{[(1R,2R,3R,4R)-2,3-Dihydroxy-4-(5-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)cyclohexyl]amino}-5-oxopentanoic acid [ACD/IUPAC Name]
5-{[(1R,2R,3R,4R)-2,3-Dihydroxy-4-(5-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)cyclohexyl]amino}-5-oxopentansäure [German] [ACD/IUPAC Name]
Acide 5-{[(1R,2R,3R,4R)-2,3-dihydroxy-4-(5-méthyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)cyclohexyl]amino}-5-oxopentanoïque [French] [ACD/IUPAC Name]
Pentanoic acid, 5-[[(1R,2R,3R,4R)-4-(3,4-dihydro-5-methyl-2,4-dioxo-1(2H)-pyrimidinyl)-2,3-dihydroxycyclohexyl]amino]-5-oxo- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.615
Molar Refractivity: 87.9±0.4 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: -2.38
ACD/LogD (pH 5.5): -2.70
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.51
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 156 Å2
Polarizability: 34.8±0.5 10-24cm3
Surface Tension: 75.3±5.0 dyne/cm
Molar Volume: 252.0±5.0 cm3

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