ChemSpider 2D Image | {4'-[(2R)-2-(1H-Benzotriazol-1-yl)-3-{4-[difluoro(phosphono)methyl]phenyl}-2-phenylpropyl]-3-biphenylyl}phosphonic acid | C34H29F2N3O6P2

{4'-[(2R)-2-(1H-Benzotriazol-1-yl)-3-{4-[difluoro(phosphono)methyl]phenyl}-2-phenylpropyl]-3-biphenylyl}phosphonic acid

  • Molecular FormulaC34H29F2N3O6P2
  • Average mass675.555 Da
  • Monoisotopic mass675.149963 Da
  • ChemSpider ID394958

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

{4'-[(2R)-2-(1H-Benzotriazol-1-yl)-3-{4-[difluor(phosphono)methyl]phenyl}-2-phenylpropyl]-3-biphenylyl}phosphonsäure [German] [ACD/IUPAC Name]
{4'-[(2R)-2-(1H-Benzotriazol-1-yl)-3-{4-[difluoro(phosphono)methyl]phenyl}-2-phenylpropyl]-3-biphenylyl}phosphonic acid [ACD/IUPAC Name]
4'-((2S)-2-(1H-1,2,3-BENZOTRIAZOL-1-YL)-3-{4-[DIFLUORO(PHOSPHONO)METHYL]PHENYL}-2-PHENYLPROPYL)-1,1'-BIPHENYL-3-YLPHOSPHONIC ACID
Acide {4'-[(2R)-2-(1H-benzotriazol-1-yl)-3-{4-[difluoro(phosphono)méthyl]phényl}-2-phénylpropyl]-3-biphénylyl}phosphonique [French] [ACD/IUPAC Name]
Phosphonic acid, [4'-[(2R)-2-(1H-1,2,3-benzotriazol-1-yl)-3-[4-(difluorophosphonomethyl)phenyl]-2-phenylpropyl][1,1'-biphenyl]-3-yl]- [ACD/Index Name]

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

213 [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: 901.8±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 137.3±3.0 kJ/mol
Flash Point: 499.2±37.1 °C
Index of Refraction: 1.663
Molar Refractivity: 173.6±0.5 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 6.23
ACD/LogD (pH 5.5): -0.91
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.98
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 165 Å2
Polarizability: 68.8±0.5 10-24cm3
Surface Tension: 63.0±7.0 dyne/cm
Molar Volume: 468.8±7.0 cm3

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