ChemSpider 2D Image | ALMADRATE SULFATE | C33H49NO10S

ALMADRATE SULFATE

  • Molecular FormulaC33H49NO10S
  • Average mass651.808 Da
  • Monoisotopic mass651.307739 Da
  • ChemSpider ID50613

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

121807-10-1 [RN]
2-[(8-{[(6α,11β)-11,17-Dihydroxy-6-methyl-3,20-dioxopregna-1,4-dien-21-yl]oxy}-8-oxooctanoyl)(methyl)amino]ethanesulfonic acid [ACD/IUPAC Name]
2-[(8-{[(6α,11β)-11,17-Dihydroxy-6-methyl-3,20-dioxopregna-1,4-dien-21-yl]oxy}-8-oxooctanoyl)(methyl)amino]ethansulfonsäure [German] [ACD/IUPAC Name]
60239-66-9 [RN]
Acide 2-[(8-{[(6α,11β)-11,17-dihydroxy-6-méthyl-3,20-dioxoprégna-1,4-dién-21-yl]oxy}-8-oxooctanoyl)(méthyl)amino]éthanesulfonique [French] [ACD/IUPAC Name]
ALMADRATE SULFATE [USAN]
METHYLPREDNISOLONE 21-SULEPTANIC ACID ESTER
Octanoic acid, 8-[methyl(2-sulfoethyl)amino]-8-oxo-, 1-[(6α,11β)-11,17-dihydroxy-6-methyl-3,20-dioxopregna-1,4-dien-21-yl] ester [ACD/Index Name]
2-[{8-[(11β,17-dihydroxy-6α-methyl-3,20-dioxopregna-1,4-dien-21-yl)oxy]-8-oxooctanoyl}(methyl)amino]ethane-1-sulfonic acid
2-[{8-[(11β,17-dihydroxy-6α-methyl-3,20-dioxopregna-1,4-dien-21-yl)oxy]-8-oxooctanoyl}(methyl)amino]ethanesulfonic acid
More...

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

3O5T2NJE2D [DBID]
UNII:3O5T2NJE2D [DBID]
UNII-3O5T2NJE2D [DBID]
  • Miscellaneous

    • Chemical Class:

      A carboxylic ester resulting from the formal condensation of the 21-hydroxy group of 6alpha-methylprednisolone with the carboxy group of 8-[methyl(2-sulfoethyl)amino]-8-oxooctanoic acid. ChEBI CHEBI:156480

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.587
Molar Refractivity: 165.7±0.4 cm3
#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: 184 Å2
Polarizability: 65.7±0.5 10-24cm3
Surface Tension: 61.8±5.0 dyne/cm
Molar Volume: 493.0±5.0 cm3

Click to predict properties on the Chemicalize site


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