ChemSpider 2D Image | ({[(1R)-2-(4-Biphenylyl)-1-(1H-tetrazol-5-yl)ethyl]amino}methyl)phosphonic acid | C16H18N5O3P

({[(1R)-2-(4-Biphenylyl)-1-(1H-tetrazol-5-yl)ethyl]amino}methyl)phosphonic acid

  • Molecular FormulaC16H18N5O3P
  • Average mass359.320 Da
  • Monoisotopic mass359.114716 Da
  • ChemSpider ID23110202

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

({[(1R)-2-(4-Biphenylyl)-1-(1H-tetrazol-5-yl)ethyl]amino}methyl)phosphonic acid [ACD/IUPAC Name]
({[(1R)-2-(4-Biphenylyl)-1-(1H-tetrazol-5-yl)ethyl]amino}methyl)phosphonsäure [German] [ACD/IUPAC Name]
Acide ({[(1R)-2-(4-biphénylyl)-1-(1H-tétrazol-5-yl)éthyl]amino}méthyl)phosphonique [French] [ACD/IUPAC Name]
Phosphonic acid, [[[(1R)-2-[1,1'-biphenyl]-4-yl-1-(2H-tetrazol-5-yl)ethyl]amino]methyl]- [ACD/Index Name]
({[(1R)-2-(biphenyl-4-yl)-1-(2H-tetrazol-5-yl)ethyl]amino}methyl)phosphonic acid
{[(R)-2-Biphenyl-4-yl-1-(1H-tetrazol-5-yl)-ethylamino]-methyl}-phosphonic acid
{[2-Biphenyl-4-yl-1-(1H-tetrazol-5-yl)-ethylamino]-methyl}-phosphonic acid(CGS 26303)
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL273461/

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

CGS-26303 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 673.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 104.0±3.0 kJ/mol
Flash Point: 361.4±34.3 °C
Index of Refraction: 1.650
Molar Refractivity: 91.8±0.3 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 0.72
ACD/LogD (pH 5.5): -3.62
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.54
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 134 Å2
Polarizability: 36.4±0.5 10-24cm3
Surface Tension: 76.4±3.0 dyne/cm
Molar Volume: 251.5±3.0 cm3

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