ChemSpider 2D Image | N-({1-[(Hydroxy{(1R)-1-[(4-methoxybenzoyl)amino]-2-phenylethyl}phosphoryl)methyl]cyclopentyl}carbonyl)-L-tryptophan | C34H38N3O7P

N-({1-[(Hydroxy{(1R)-1-[(4-methoxybenzoyl)amino]-2-phenylethyl}phosphoryl)methyl]cyclopentyl}carbonyl)-L-tryptophan

  • Molecular FormulaC34H38N3O7P
  • Average mass631.655 Da
  • Monoisotopic mass631.244751 Da
  • ChemSpider ID23138516

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

L-Tryptophan, N-[[1-[[hydroxy[(1R)-1-[(4-methoxybenzoyl)amino]-2-phenylethyl]phosphinyl]methyl]cyclopentyl]carbonyl]- [ACD/Index Name]
N-({1-[(Hydroxy{(1R)-1-[(4-methoxybenzoyl)amino]-2-phenylethyl}phosphoryl)methyl]cyclopentyl}carbonyl)-L-tryptophan [German] [ACD/IUPAC Name]
N-({1-[(Hydroxy{(1R)-1-[(4-methoxybenzoyl)amino]-2-phenylethyl}phosphoryl)methyl]cyclopentyl}carbonyl)-L-tryptophan [ACD/IUPAC Name]
N-({1-[(Hydroxy{(1R)-1-[(4-méthoxybenzoyl)amino]-2-phényléthyl}phosphoryl)méthyl]cyclopentyl}carbonyl)-L-tryptophane [French] [ACD/IUPAC Name]
(S)-2-[(1-{Hydroxy-[(R)-1-(4-methoxy-benzoylamino)-2-phenyl-ethyl]-phosphinoylmethyl}-cyclopentanecarbonyl)-amino]-3-(1H-indol-3-yl)-propionic acid

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

Density: 1.3±0.1 g/cm3
Boiling Point: 1014.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 155.2±3.0 kJ/mol
Flash Point: 567.3±34.3 °C
Index of Refraction: 1.636
Molar Refractivity: 170.0±0.3 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: 4.76
ACD/LogD (pH 5.5): -0.64
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.91
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 168 Å2
Polarizability: 67.4±0.5 10-24cm3
Surface Tension: 63.4±3.0 dyne/cm
Molar Volume: 473.9±3.0 cm3

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