ChemSpider 2D Image | (3alpha,8xi,9xi,10xi,12alpha,13xi,14xi,16xi,17xi,22xi)-12-Hydroxy-11-oxospirostan-3-yl methyl succinate | C32H48O8

(3α,8ξ,9ξ,10ξ,12α,13ξ,14ξ,16ξ,17ξ,22ξ)-12-Hydroxy-11-oxospirostan-3-yl methyl succinate

  • Molecular FormulaC32H48O8
  • Average mass560.719 Da
  • Monoisotopic mass560.334900 Da
  • ChemSpider ID5142849

  • defined stereocentres - 3 of 13 defined stereocentres

More details:

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

(3α,8ξ,9ξ,10ξ,12α,13ξ,14ξ,16ξ,17ξ,22ξ)-12-Hydroxy-11-oxospirostan-3-yl methyl succinate [ACD/IUPAC Name]
(3α,8ξ,9ξ,10ξ,12α,13ξ,14ξ,16ξ,17ξ,22ξ)-12-Hydroxy-11-oxospirostan-3-yl-methyl-succinat [German] [ACD/IUPAC Name]
Butanedioic acid, (3β,8ξ,9ξ,10ξ,12β,13ξ,14ξ,16ξ,17ξ,22ξ)-12-hydroxy-11-oxospirostan-3-yl methyl ester [ACD/Index Name]
Succinate de (3α,8ξ,9ξ,10ξ,12α,13ξ,14ξ,16ξ,17ξ,22ξ)-12-hydroxy-11-oxospirostan-3-yle et de méthyle [French] [ACD/IUPAC Name]
METHYL 3β,12-DIHYDROXY-11-KETOISOALLOSPIROSTAN-3-HEMISUCCINATE

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

KBio2_002274 [DBID]
KBio2_004842 [DBID]
KBio2_007410 [DBID]
KBioSS_002275 [DBID]
SPBio_001184 [DBID]
Spectrum_001787 [DBID]
Spectrum2_001252 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 649.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.4 mmHg at 25°C
Enthalpy of Vaporization: 109.6±6.0 kJ/mol
Flash Point: 201.5±25.0 °C
Index of Refraction: 1.554
Molar Refractivity: 146.6±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 3.47
ACD/LogD (pH 5.5): 3.68
ACD/BCF (pH 5.5): 372.22
ACD/KOC (pH 5.5): 2408.70
ACD/LogD (pH 7.4): 3.68
ACD/BCF (pH 7.4): 372.22
ACD/KOC (pH 7.4): 2408.68
Polar Surface Area: 108 Å2
Polarizability: 58.1±0.5 10-24cm3
Surface Tension: 50.1±5.0 dyne/cm
Molar Volume: 457.6±5.0 cm3

Click to predict properties on the Chemicalize site


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