ChemSpider 2D Image | (2S)-(3-Carbamimidamidophenyl)[(hydroxy{(1R)-2-methyl-1-[(3-phenylpropanoyl)amino]propyl}phosphoryl)oxy]acetic acid | C22H29N4O6P

(2S)-(3-Carbamimidamidophenyl)[(hydroxy{(1R)-2-methyl-1-[(3-phenylpropanoyl)amino]propyl}phosphoryl)oxy]acetic acid

  • Molecular FormulaC22H29N4O6P
  • Average mass476.463 Da
  • Monoisotopic mass476.182465 Da
  • ChemSpider ID25060242

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2s)-(3-{[amino(Imino)methyl]amino}phenyl){[(S)-Hydroxy{(1r)-2-Methyl-1-[(3-Phenylpropanoyl)amino]propyl}phosphoryl]oxy}acetic Acid
(2S)-(3-Carbamimidamidophenyl)[(hydroxy{(1R)-2-methyl-1-[(3-phenylpropanoyl)amino]propyl}phosphoryl)oxy]acetic acid [ACD/IUPAC Name]
(2S)-(3-Carbamimidamidophenyl)[(hydroxy{(1R)-2-methyl-1-[(3-phenylpropanoyl)amino]propyl}phosphoryl)oxy]essigsäure [German] [ACD/IUPAC Name]
Acide (2S)-(3-carbamimidamidophényl)[(hydroxy{(1R)-2-méthyl-1-[(3-phénylpropanoyl)amino]propyl}phosphoryl)oxy]acétique [French] [ACD/IUPAC Name]
Benzeneacetic acid, 3-[[(Z)-aminoiminomethyl]amino]-α-[[hydroxy[(1R)-2-methyl-1-[(1-oxo-3-phenylpropyl)amino]propyl]phosphinyl]oxy]-, (αS)- [ACD/Index Name]
86A

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: 1.621
Molar Refractivity: 120.9±0.5 cm3
#H bond acceptors: 10
#H bond donors: 7
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 0.61
ACD/LogD (pH 5.5): -2.90
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.92
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 185 Å2
Polarizability: 47.9±0.5 10-24cm3
Surface Tension: 58.9±7.0 dyne/cm
Molar Volume: 343.9±7.0 cm3

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