ChemSpider 2D Image | (4S)-4-Amino-5-{[(2R,4R)-4-(5-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-1,3-dioxolan-2-yl]methoxy}-5-oxopentanoic acid | C14H19N3O8

(4S)-4-Amino-5-{[(2R,4R)-4-(5-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-1,3-dioxolan-2-yl]methoxy}-5-oxopentanoic acid

  • Molecular FormulaC14H19N3O8
  • Average mass357.316 Da
  • Monoisotopic mass357.117218 Da
  • ChemSpider ID25046529

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(4S)-4-Amino-5-{[(2R,4R)-4-(5-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-1,3-dioxolan-2-yl]methoxy}-5-oxopentanoic acid [ACD/IUPAC Name]
(4S)-4-Amino-5-{[(2R,4R)-4-(5-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-1,3-dioxolan-2-yl]methoxy}-5-oxopentansäure [German] [ACD/IUPAC Name]
Acide (4S)-4-amino-5-{[(2R,4R)-4-(5-méthyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-1,3-dioxolan-2-yl]méthoxy}-5-oxopentanoïque [French] [ACD/IUPAC Name]
L-Glutamic acid, 1-[[(2R,4R)-4-(3,4-dihydro-5-methyl-2,4-dioxo-1(2H)-pyrimidinyl)-1,3-dioxolan-2-yl]methyl] ester [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.556
Molar Refractivity: 79.7±0.3 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: -0.95
ACD/LogD (pH 5.5): -3.51
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.59
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 157 Å2
Polarizability: 31.6±0.5 10-24cm3
Surface Tension: 60.8±3.0 dyne/cm
Molar Volume: 248.0±3.0 cm3

Click to predict properties on the Chemicalize site


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