ChemSpider 2D Image | Diphenyl ({[(1S)-2-(4-biphenylyl)-1-(2H-tetrazol-5-yl)ethyl]amino}methyl)phosphonate | C28H26N5O3P

Diphenyl ({[(1S)-2-(4-biphenylyl)-1-(2H-tetrazol-5-yl)ethyl]amino}methyl)phosphonate

  • Molecular FormulaC28H26N5O3P
  • Average mass511.512 Da
  • Monoisotopic mass511.177338 Da
  • ChemSpider ID113420

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

({[(1S)-2-(4-Biphénylyl)-1-(2H-tétrazol-5-yl)éthyl]amino}méthyl)phosphonate de diphényle [French] [ACD/IUPAC Name]
Diphenyl ({[(1S)-2-(4-biphenylyl)-1-(2H-tetrazol-5-yl)ethyl]amino}methyl)phosphonate [ACD/IUPAC Name]
diphenyl ({[(1S)-2-(biphenyl-4-yl)-1-(2H-tetrazol-5-yl)ethyl]amino}methyl)phosphonate
Diphenyl-({[(1S)-2-(4-biphenylyl)-1-(2H-tetrazol-5-yl)ethyl]amino}methyl)phosphonat [German] [ACD/IUPAC Name]
Phosphonic acid, P-[[[(1S)-2-[1,1'-biphenyl]-4-yl-1-(2H-tetrazol-5-yl)ethyl]amino]methyl]-, diphenyl ester [ACD/Index Name]
(S)-Diphenyl (((2-(1,1'-biphenyl)-4-yl-1-(1H-tetrazol-5-yl)ethyl)amino)methyl)phosphonate
{[(S)-2-Biphenyl-4-yl-1-(1H-tetrazol-5-yl)-ethylamino]-methyl}-phosphonic acid diphenyl ester
154116-34-4 [RN]
2-Biphenyl-4-yl-1-(1H-tetrazol-5-yl)ethylaminoethyl phosphonic acid
Phosphonic acid, (((2-(1,1'-biphenyl)-4-yl-1-(1H-tetrazol-5-yl)ethyl)amino)methyl)-, diphenyl ester, (S)-

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

Cgs 26393 [DBID]
Cgs-26393 [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: 707.9±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 103.5±3.0 kJ/mol
Flash Point: 381.9±35.7 °C
Index of Refraction: 1.637
Molar Refractivity: 141.2±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 5.38
ACD/LogD (pH 5.5): 4.28
ACD/BCF (pH 5.5): 741.53
ACD/KOC (pH 5.5): 2620.05
ACD/LogD (pH 7.4): 3.04
ACD/BCF (pH 7.4): 43.27
ACD/KOC (pH 7.4): 152.88
Polar Surface Area: 112 Å2
Polarizability: 56.0±0.5 10-24cm3
Surface Tension: 59.9±3.0 dyne/cm
Molar Volume: 393.2±3.0 cm3

Click to predict properties on the Chemicalize site


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