ChemSpider 2D Image | 1-[(3S,4S)-1-(3-Aminopropanoyl)-4-hydroxy-3-pyrrolidinyl]-5-chloro-2,4(1H,3H)-pyrimidinedione | C11H15ClN4O4

1-[(3S,4S)-1-(3-Aminopropanoyl)-4-hydroxy-3-pyrrolidinyl]-5-chloro-2,4(1H,3H)-pyrimidinedione

  • Molecular FormulaC11H15ClN4O4
  • Average mass302.714 Da
  • Monoisotopic mass302.078186 Da
  • ChemSpider ID68383641

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1-[(3S,4S)-1-(3-Aminopropanoyl)-4-hydroxy-3-pyrrolidinyl]-5-chlor-2,4(1H,3H)-pyrimidindion [German] [ACD/IUPAC Name]
1-[(3S,4S)-1-(3-Aminopropanoyl)-4-hydroxy-3-pyrrolidinyl]-5-chloro-2,4(1H,3H)-pyrimidinedione [ACD/IUPAC Name]
1-[(3S,4S)-1-(3-Aminopropanoyl)-4-hydroxy-3-pyrrolidinyl]-5-chloro-2,4(1H,3H)-pyrimidinedione [French] [ACD/IUPAC Name]
2,4(1H,3H)-Pyrimidinedione, 1-[(3S,4S)-1-(3-amino-1-oxopropyl)-4-hydroxy-3-pyrrolidinyl]-5-chloro- [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: 1.654
Molar Refractivity: 70.3±0.4 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -3.36
ACD/LogD (pH 5.5): -5.38
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.18
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 116 Å2
Polarizability: 27.9±0.5 10-24cm3
Surface Tension: 79.9±5.0 dyne/cm
Molar Volume: 191.8±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement