ChemSpider 2D Image | N~2~-({(1r,2r,3s)-2-(Methylcarbamoyl)-3-[4-(Phosphonooxy)phenyl]cyclopropyl}carbonyl)-D-Glutaminyl-D-Aspartamide | C21H29N6O10P

N2-({(1r,2r,3s)-2-(Methylcarbamoyl)-3-[4-(Phosphonooxy)phenyl]cyclopropyl}carbonyl)-D-Glutaminyl-D-Aspartamide

  • Molecular FormulaC21H29N6O10P
  • Average mass556.463 Da
  • Monoisotopic mass556.168274 Da
  • ChemSpider ID25061163

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

L-Aspartamide, N2-[[(1R,2R,3S)-2-[(methylamino)carbonyl]-3-[4-(phosphonooxy)phenyl]cyclopropyl]carbonyl]-L-glutaminyl- [ACD/Index Name]
N2-({(1r,2r,3s)-2-(Methylcarbamoyl)-3-[4-(Phosphonooxy)phenyl]cyclopropyl}carbonyl)-D-Glutaminyl-D-Aspartamide
N2-({(1R,2R,3S)-2-(Methylcarbamoyl)-3-[4-(phosphonooxy)phenyl]cyclopropyl}carbonyl)-L-glutaminyl-L-aspartamid [German] [ACD/IUPAC Name]
N2-({(1R,2R,3S)-2-(Methylcarbamoyl)-3-[4-(phosphonooxy)phenyl]cyclopropyl}carbonyl)-L-glutaminyl-L-aspartamide [ACD/IUPAC Name]
N2-({(1R,2R,3S)-2-(Méthylcarbamoyl)-3-[4-(phosphonooxy)phényl]cyclopropyl}carbonyl)-L-glutaminyl-L-aspartamide [French] [ACD/IUPAC Name]
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.613
Molar Refractivity: 127.2±0.3 cm3
#H bond acceptors: 16
#H bond donors: 11
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: -5.65
ACD/LogD (pH 5.5): -8.32
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -8.99
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 293 Å2
Polarizability: 50.4±0.5 10-24cm3
Surface Tension: 80.4±3.0 dyne/cm
Molar Volume: 365.3±3.0 cm3

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