ChemSpider 2D Image | (6-{4-[(2R)-2-(1H-Benzotriazol-1-yl)-3-{4-[difluoro(phosphono)methyl]phenyl}-2-phenylpropyl]phenyl}-2-methyl-8-quinolinyl)phosphonic acid | C38H32F2N4O6P2

(6-{4-[(2R)-2-(1H-Benzotriazol-1-yl)-3-{4-[difluoro(phosphono)methyl]phenyl}-2-phenylpropyl]phenyl}-2-methyl-8-quinolinyl)phosphonic acid

  • Molecular FormulaC38H32F2N4O6P2
  • Average mass740.628 Da
  • Monoisotopic mass740.176514 Da
  • ChemSpider ID394960

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(6-{4-[(2R)-2-(1H-Benzotriazol-1-yl)-3-{4-[difluor(phosphono)methyl]phenyl}-2-phenylpropyl]phenyl}-2-methyl-8-chinolinyl)phosphonsäure [German] [ACD/IUPAC Name]
(6-{4-[(2R)-2-(1H-Benzotriazol-1-yl)-3-{4-[difluoro(phosphono)methyl]phenyl}-2-phenylpropyl]phenyl}-2-methyl-8-quinolinyl)phosphonic acid [ACD/IUPAC Name]
6-[4-((2R)-2-(1H-1,2,3-BENZOTRIAZOL-1-YL)-3-{4-[DIFLUORO(PHOSPHONO)METHYL]PHENYL}-2-PHENYLPROPYL)PHENYL]-2-METHYLQUINOLIN-8-YLPHOSPHONIC ACID
Acide (6-{4-[(2R)-2-(1H-benzotriazol-1-yl)-3-{4-[difluoro(phosphono)méthyl]phényl}-2-phénylpropyl]phényl}-2-méthyl-8-quinoléinyl)phosphonique [French] [ACD/IUPAC Name]
Phosphonic acid, [6-[4-[(2R)-2-(1H-1,2,3-benzotriazol-1-yl)-3-[4-(difluorophosphonomethyl)phenyl]-2-phenylpropyl]phenyl]-2-methyl-8-quinolinyl]- [ACD/Index Name]

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

214 [DBID]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 951.7±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 145.1±3.0 kJ/mol
Flash Point: 529.3±37.1 °C
Index of Refraction: 1.682
Molar Refractivity: 192.4±0.5 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 6.61
ACD/LogD (pH 5.5): -0.41
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.96
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 178 Å2
Polarizability: 76.3±0.5 10-24cm3
Surface Tension: 63.2±7.0 dyne/cm
Molar Volume: 508.1±7.0 cm3

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