ChemSpider 2D Image | 4-(2-hydroxyphenylsulfinyl)-butylphosphonic acid | C10H15O5PS

4-(2-hydroxyphenylsulfinyl)-butylphosphonic acid

  • Molecular FormulaC10H15O5PS
  • Average mass278.262 Da
  • Monoisotopic mass278.037781 Da
  • ChemSpider ID25057097

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

{4-[(S)-(2-Hydroxyphenyl)sulfinyl]butyl}phosphonic acid [ACD/IUPAC Name]
{4-[(S)-(2-Hydroxyphenyl)sulfinyl]butyl}phosphonsäure [German] [ACD/IUPAC Name]
4-(2-hydroxyphenylsulfinyl)-butylphosphonic acid
Acide {4-[(S)-(2-hydroxyphényl)sulfinyl]butyl}phosphonique [French] [ACD/IUPAC Name]
Phosphonic acid, [4-[(S)-(2-hydroxyphenyl)sulfinyl]butyl]- [ACD/Index Name]
{4-[(S)-(2-hydroxybenzene)sulfinyl]butyl}phosphonic acid
{4-[(S)-2-hydroxybenzenesulfinyl]butyl}phosphonic acid
4-[(S)-2-hydroxybenzenesulfinyl]butylphosphonic acid

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

Density: 1.5±0.1 g/cm3
Boiling Point: 574.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.6±3.0 kJ/mol
Flash Point: 301.4±32.9 °C
Index of Refraction: 1.628
Molar Refractivity: 65.5±0.4 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: -1.57
ACD/LogD (pH 5.5): -3.81
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.58
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 124 Å2
Polarizability: 26.0±0.5 10-24cm3
Surface Tension: 83.5±5.0 dyne/cm
Molar Volume: 184.4±5.0 cm3

Click to predict properties on the Chemicalize site


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