ChemSpider 2D Image | 2-[{8-[(11,17-Dihydroxy-6-methyl-3,20-dioxopregna-1,4-dien-21-yl)oxy]-8-oxooctanoyl}(methyl)amino]ethanesulfonate | C33H48NO10S

2-[{8-[(11,17-Dihydroxy-6-methyl-3,20-dioxopregna-1,4-dien-21-yl)oxy]-8-oxooctanoyl}(methyl)amino]ethanesulfonate

  • Molecular FormulaC33H48NO10S
  • Average mass650.800 Da
  • Monoisotopic mass650.300415 Da
  • ChemSpider ID95640272

  • Charge - Charge

More details:

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

2-[{8-[(11,17-Dihydroxy-6-methyl-3,20-dioxopregna-1,4-dien-21-yl)oxy]-8-oxooctanoyl}(methyl)amino]ethanesulfonate [ACD/IUPAC Name]
2-[{8-[(11,17-Dihydroxy-6-méthyl-3,20-dioxoprégna-1,4-dién-21-yl)oxy]-8-oxooctanoyl}(méthyl)amino]éthanesulfonate [French] [ACD/IUPAC Name]
2-[{8-[(11,17-Dihydroxy-6-methyl-3,20-dioxopregna-1,4-dien-21-yl)oxy]-8-oxooctanoyl}(methyl)amino]ethansulfonat [German] [ACD/IUPAC Name]
Octanoic acid, 8-[methyl(2-sulfoethyl)amino]-8-oxo-, 1-(11,17-dihydroxy-6-methyl-3,20-dioxopregna-1,4-dien-21-yl) ester, ion(1-) [ACD/Index Name]

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 1.90
ACD/LogD (pH 5.5): -2.34
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.42
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 187 Å2
Polarizability:
Surface Tension:
Molar Volume:

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