ChemSpider 2D Image | (1R)-4-[3-(2-Benzylphenoxy)phenyl]-1-phosphono-1-butanesulfonic acid | C23H25O7PS

(1R)-4-[3-(2-Benzylphenoxy)phenyl]-1-phosphono-1-butanesulfonic acid

  • Molecular FormulaC23H25O7PS
  • Average mass476.479 Da
  • Monoisotopic mass476.105865 Da
  • ChemSpider ID25060848
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(1R)-4-[3-(2-Benzylphenoxy)phenyl]-1-phosphono-1-butanesulfonic acid [ACD/IUPAC Name]
(1R)-4-[3-(2-Benzylphenoxy)phenyl]-1-phosphono-1-butansulfonsäure [German] [ACD/IUPAC Name]
Acide (1R)-4-[3-(2-benzylphénoxy)phényl]-1-phosphono-1-butanesulfonique [French] [ACD/IUPAC Name]
Benzenebutanesulfonic acid, 3-[2-(phenylmethyl)phenoxy]-α-phosphono-, (αR)- [ACD/Index Name]
(1r)-4-[3-(2-Benzylphenoxy)phenyl]-1-Phosphonobutane-1-Sulfonic Acid
702

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.624
Molar Refractivity: 121.2±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 2.99
ACD/LogD (pH 5.5): -3.37
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.60
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 139 Å2
Polarizability: 48.0±0.5 10-24cm3
Surface Tension: 63.3±3.0 dyne/cm
Molar Volume: 343.3±3.0 cm3

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