ChemSpider 2D Image | Cilastatin-15N-d3 | C16H23D3N15NO5S


  • Molecular FormulaC16H23D3N15NO5S
  • Average mass362.465 Da
  • Monoisotopic mass362.172119 Da
  • ChemSpider ID97091862
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 2 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(2Z)-7-{[2-(15N)Amino-2-carboxy(2H3)ethyl]sulfanyl}-2-({[(1S)-2,2-dimethylcyclopropyl]carbonyl}amino)-2-heptenoic acid [ACD/IUPAC Name]
(2Z)-7-{[2-(15N)Amino-2-carboxy(2H3)ethyl]sulfanyl}-2-({[(1S)-2,2-dimethylcyclopropyl]carbonyl}amino)-2-heptensäure [German] [ACD/IUPAC Name]
2-Heptenoic acid, 7-[[2-(amino-15N)-2-carboxyethyl-1,1,2-d3]thio]-2-[[[(1S)-2,2-dimethylcyclopropyl]carbonyl]amino]-, (2Z)- [ACD/Index Name]
Acide (2Z)-7-{[2-(15N)amino-2-carboxy(2H3)éthyl]sulfanyl}-2-({[(1S)-2,2-diméthylcyclopropyl]carbonyl}amino)-2-hepténoïque [French] [ACD/IUPAC Name]
2738376-83-3 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.570
Molar Refractivity: 92.2±0.3 cm3
#H bond acceptors:
#H bond donors:
#Freely Rotating Bonds:
#Rule of 5 Violations:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area:
Polarizability: 36.5±0.5 10-24cm3
Surface Tension: 58.6±3.0 dyne/cm
Molar Volume: 281.0±3.0 cm3

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