ChemSpider 2D Image | N-({(1R,2R,3S)-2-(Methylcarbamoyl)-3-[4-(phosphonooxy)phenyl]cyclopropyl}carbonyl)-L-isoleucyl-L-aspartamide | C22H32N5O9P

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

  • Molecular FormulaC22H32N5O9P
  • Average mass541.491 Da
  • Monoisotopic mass541.193787 Da
  • ChemSpider ID25061162

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(1r,2s,3r,1s',1s")phosphoric Acid Mono(4-{2-[1-(1,2-Dicarbamoylethylcarbamoyl)-3-Carbamoylpropylcarbamoyl]-3-Methylcarbamoylcyclopropyl}phenyl) Ester
L-Aspartamide, N-[[(1R,2R,3S)-2-[(methylamino)carbonyl]-3-[4-(phosphonooxy)phenyl]cyclopropyl]carbonyl]-L-isoleucyl- [ACD/Index Name]
N-({(1R,2R,3S)-2-(Methylcarbamoyl)-3-[4-(phosphonooxy)phenyl]cyclopropyl}carbonyl)-L-isoleucyl-L-aspartamid [German] [ACD/IUPAC Name]
N-({(1R,2R,3S)-2-(Methylcarbamoyl)-3-[4-(phosphonooxy)phenyl]cyclopropyl}carbonyl)-L-isoleucyl-L-aspartamide [ACD/IUPAC Name]
N-({(1R,2R,3S)-2-(Méthylcarbamoyl)-3-[4-(phosphonooxy)phényl]cyclopropyl}carbonyl)-L-isoleucyl-L-aspartamide [French] [ACD/IUPAC Name]
AYI

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: 1.587
Molar Refractivity: 128.2±0.3 cm3
#H bond acceptors: 14
#H bond donors: 9
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: -3.32
ACD/LogD (pH 5.5): -6.30
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.97
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 250 Å2
Polarizability: 50.8±0.5 10-24cm3
Surface Tension: 68.4±3.0 dyne/cm
Molar Volume: 381.4±3.0 cm3

Click to predict properties on the Chemicalize site


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