ChemSpider 2D Image | 3-(5-Chloro-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-L-alanine | C7H8ClN3O4

3-(5-Chloro-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-L-alanine

  • Molecular FormulaC7H8ClN3O4
  • Average mass233.609 Da
  • Monoisotopic mass233.020340 Da
  • ChemSpider ID23202782

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

3-(5-Chlor-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-L-alanin [German] [ACD/IUPAC Name]
3-(5-Chloro-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-L-alanine [ACD/IUPAC Name]
3-(5-Chloro-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-L-alanine [French] [ACD/IUPAC Name]
3-(5-chloro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-L-alanine
L-Alanine, 3-(5-chloro-3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)- [ACD/Index Name]
(S)-2-Amino-3-(5-chloro-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-propionic acid
(S)-5-CHLOROWILLARDIINE
(S)-5-Chlorowillardine
1(2H)-Pyrimidinepropanoicacid, a-amino-5-chloro-3,4-dihydro-2,4-dioxo-,(aS)-
140187-24-2 [RN]
More...

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

Density: 1.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.642
Molar Refractivity: 49.9±0.4 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -1.28
ACD/LogD (pH 5.5): -3.58
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.71
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 113 Å2
Polarizability: 19.8±0.5 10-24cm3
Surface Tension: 83.7±5.0 dyne/cm
Molar Volume: 138.3±5.0 cm3

Click to predict properties on the Chemicalize site


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