ChemSpider 2D Image | (2S)-2-(3-Carbamimidamidophenyl)-3-[hydroxy(3-phenylpropyl)phosphoryl]propanoic acid | C19H24N3O4P

(2S)-2-(3-Carbamimidamidophenyl)-3-[hydroxy(3-phenylpropyl)phosphoryl]propanoic acid

  • Molecular FormulaC19H24N3O4P
  • Average mass389.385 Da
  • Monoisotopic mass389.150452 Da
  • ChemSpider ID25057945

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-(3-{[AMINO(IMINO)METHYL]AMINO}PHENYL)-3-[(S)-HYDROXY(3-PHENYLPROPYL)PHOSPHORYL]PROPANOIC ACID
(2S)-2-(3-Carbamimidamidophenyl)-3-[hydroxy(3-phenylpropyl)phosphoryl]propanoic acid [ACD/IUPAC Name]
(2S)-2-(3-Carbamimidamidophenyl)-3-[hydroxy(3-phenylpropyl)phosphoryl]propansäure [German] [ACD/IUPAC Name]
Acide (2S)-2-(3-carbamimidamidophényl)-3-[hydroxy(3-phénylpropyl)phosphoryl]propanoïque [French] [ACD/IUPAC Name]
Benzeneacetic acid, 3-[[(Z)-aminoiminomethyl]amino]-α-[[hydroxy(3-phenylpropyl)phosphinyl]methyl]-, (αS)- [ACD/Index Name]

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

606 [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: 680.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 104.8±3.0 kJ/mol
Flash Point: 365.1±34.3 °C
Index of Refraction: 1.624
Molar Refractivity: 102.2±0.5 cm3
#H bond acceptors: 7
#H bond donors: 6
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 1.98
ACD/LogD (pH 5.5): -1.53
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.68
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 146 Å2
Polarizability: 40.5±0.5 10-24cm3
Surface Tension: 60.8±7.0 dyne/cm
Molar Volume: 289.2±7.0 cm3

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