ChemSpider 2D Image | Ethyl (3Z)-3-[(dimethoxyphosphoryl)sulfanyl]-4-ethoxy-4-hydroxy-3-butenoate | C10H19O7PS

Ethyl (3Z)-3-[(dimethoxyphosphoryl)sulfanyl]-4-ethoxy-4-hydroxy-3-butenoate

  • Molecular FormulaC10H19O7PS
  • Average mass314.292 Da
  • Monoisotopic mass314.058899 Da
  • ChemSpider ID95566698

More details:

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

(3Z)-3-[(Diméthoxyphosphoryl)sulfanyl]-4-éthoxy-4-hydroxy-3-buténoate d'éthyle [French] [ACD/IUPAC Name]
3-Butenoic acid, 3-[(dimethoxyphosphinyl)thio]-4-ethoxy-4-hydroxy-, ethyl ester, (3Z)- [ACD/Index Name]
Ethyl (3Z)-3-[(dimethoxyphosphoryl)sulfanyl]-4-ethoxy-4-hydroxy-3-butenoate [ACD/IUPAC Name]
Ethyl-(3Z)-3-[(dimethoxyphosphoryl)sulfanyl]-4-ethoxy-4-hydroxy-3-butenoat [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 423.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 78.3±6.0 kJ/mol
Flash Point: 210.1±31.5 °C
Index of Refraction: 1.496
Molar Refractivity: 71.5±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 3.04
ACD/LogD (pH 5.5): 1.95
ACD/BCF (pH 5.5): 17.76
ACD/KOC (pH 5.5): 272.65
ACD/LogD (pH 7.4): 1.87
ACD/BCF (pH 7.4): 15.01
ACD/KOC (pH 7.4): 230.49
Polar Surface Area: 126 Å2
Polarizability: 28.4±0.5 10-24cm3
Surface Tension: 44.5±3.0 dyne/cm
Molar Volume: 245.0±3.0 cm3

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