ChemSpider 2D Image | (S)-2-(PHOSPHONOXY)CAPROYL-L-LEUCYL-P-NITROANILIDE | C18H28N3O8P

(S)-2-(PHOSPHONOXY)CAPROYL-L-LEUCYL-P-NITROANILIDE

  • Molecular FormulaC18H28N3O8P
  • Average mass445.404 Da
  • Monoisotopic mass445.161407 Da
  • ChemSpider ID16744106
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(S)-2-(PHOSPHONOXY)CAPROYL-L-LEUCYL-P-NITROANILIDE
Hexanamide, N-[(1S)-3-methyl-1-[[(4-nitrophenyl)amino]carbonyl]butyl]-2-(phosphonooxy)-, (2S)- [ACD/Index Name]
N-(4-Nitrophenyl)-N2-[(2S)-2-(phosphonooxy)hexanoyl]-L-leucinamid [German] [ACD/IUPAC Name]
N-(4-Nitrophenyl)-N2-[(2S)-2-(phosphonooxy)hexanoyl]-L-leucinamide [ACD/IUPAC Name]
N-(4-Nitrophényl)-N2-[(2S)-2-(phosphonooxy)hexanoyl]-L-leucinamide [French] [ACD/IUPAC Name]
[(1S)-1-{[(1S)-3-methyl-1-[(4-nitrophenyl)carbamoyl]butyl]carbamoyl}pentyl]oxyphosphonic acid
{[(1S)-1-{[(1S)-3-methyl-1-[(4-nitrophenyl)carbamoyl]butyl]carbamoyl}pentyl]oxy}phosphonic acid

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

LI7 [DBID]

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: 1.568
Molar Refractivity: 108.6±0.3 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 2.87
ACD/LogD (pH 5.5): -1.89
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.81
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 181 Å2
Polarizability: 43.0±0.5 10-24cm3
Surface Tension: 57.6±3.0 dyne/cm
Molar Volume: 332.0±3.0 cm3

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