ChemSpider 2D Image | (1R)-4-(3-Phenoxyphenyl)-1-phosphono-1-butanesulfonic acid | C16H19O7PS

(1R)-4-(3-Phenoxyphenyl)-1-phosphono-1-butanesulfonic acid

  • Molecular FormulaC16H19O7PS
  • Average mass386.357 Da
  • Monoisotopic mass386.058899 Da
  • ChemSpider ID25065193

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(1R)-4-(3-Phenoxyphenyl)-1-phosphono-1-butanesulfonic acid [ACD/IUPAC Name]
(1R)-4-(3-Phenoxyphenyl)-1-phosphono-1-butansulfonsäure [German] [ACD/IUPAC Name]
(1R)-4-(3-phenoxyphenyl)-1-phosphonobutane-1-sulfonic acid
Acide (1R)-4-(3-phénoxyphényl)-1-phosphono-1-butanesulfonique [French] [ACD/IUPAC Name]
Benzenebutanesulfonic acid, 3-phenoxy-α-phosphono-, (αR)- [ACD/Index Name]
B65

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.613
Molar Refractivity: 91.9±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 1.00
ACD/LogD (pH 5.5): -4.95
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.18
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 139 Å2
Polarizability: 36.4±0.5 10-24cm3
Surface Tension: 67.8±3.0 dyne/cm
Molar Volume: 263.9±3.0 cm3

Click to predict properties on the Chemicalize site


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