ChemSpider 2D Image | (2S)-2-Amino-5-[(3R,4R)-3-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-4-hydroxy-4-methyl-1-piperidinyl]-5-oxopentanoic acid | C15H22N4O6

(2S)-2-Amino-5-[(3R,4R)-3-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-4-hydroxy-4-methyl-1-piperidinyl]-5-oxopentanoic acid

  • Molecular FormulaC15H22N4O6
  • Average mass354.358 Da
  • Monoisotopic mass354.153931 Da
  • ChemSpider ID68646104

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2S)-2-Amino-5-[(3R,4R)-3-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-4-hydroxy-4-methyl-1-piperidinyl]-5-oxopentanoic acid [ACD/IUPAC Name]
(2S)-2-Amino-5-[(3R,4R)-3-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-4-hydroxy-4-methyl-1-piperidinyl]-5-oxopentansäure [German] [ACD/IUPAC Name]
1-Piperidinepentanoic acid, α-amino-3-(3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)-4-hydroxy-4-methyl-δ-oxo-, (αS,3R,4R)- [ACD/Index Name]
Acide (2S)-2-amino-5-[(3R,4R)-3-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-4-hydroxy-4-méthyl-1-pipéridinyl]-5-oxopentanoïque [French] [ACD/IUPAC 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: 1.601
Molar Refractivity: 84.3±0.3 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: -2.19
ACD/LogD (pH 5.5): -4.94
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.94
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 153 Å2
Polarizability: 33.4±0.5 10-24cm3
Surface Tension: 72.3±3.0 dyne/cm
Molar Volume: 245.9±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement