ChemSpider 2D Image | N-({(1R,2R,3S)-2-(Methylcarbamoyl)-3-[4-(phosphonooxy)phenyl]cyclopropyl}carbonyl)-L-valyl-L-aspartamide | C21H30N5O9P

N-({(1R,2R,3S)-2-(Methylcarbamoyl)-3-[4-(phosphonooxy)phenyl]cyclopropyl}carbonyl)-L-valyl-L-aspartamide

  • Molecular FormulaC21H30N5O9P
  • Average mass527.465 Da
  • Monoisotopic mass527.178101 Da
  • ChemSpider ID7826917

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

L-Aspartamide, N-[[(1R,2R,3S)-2-[(methylamino)carbonyl]-3-[4-(phosphonooxy)phenyl]cyclopropyl]carbonyl]-L-valyl- [ACD/Index Name]
N-({(1R,2R,3S)-2-(Methylcarbamoyl)-3-[4-(phosphonooxy)phenyl]cyclopropyl}carbonyl)-L-valyl-L-aspartamid [German] [ACD/IUPAC Name]
N-({(1R,2R,3S)-2-(Methylcarbamoyl)-3-[4-(phosphonooxy)phenyl]cyclopropyl}carbonyl)-L-valyl-L-aspartamide [ACD/IUPAC Name]
N-({(1R,2R,3S)-2-(Méthylcarbamoyl)-3-[4-(phosphonooxy)phényl]cyclopropyl}carbonyl)-L-valyl-L-aspartamide [French] [ACD/IUPAC Name]
N-({(1R,2R,3S)-2-[(METHYLAMINO)CARBONYL]-3-[4-(PHOSPHONOOXY)PHENYL]CYCLOPROPYL}CARBONYL)-L-VALYL-L-ASPARTAMIDE
YVN

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: 1.592
Molar Refractivity: 123.6±0.3 cm3
#H bond acceptors: 14
#H bond donors: 9
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: -3.85
ACD/LogD (pH 5.5): -6.69
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.36
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 250 Å2
Polarizability: 49.0±0.5 10-24cm3
Surface Tension: 70.4±3.0 dyne/cm
Molar Volume: 364.9±3.0 cm3

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