ChemSpider 2D Image | 17beta-estradiol 3-sulfate 17-(beta-D-glucosiduronic acid) | C24H32O11S

17β-estradiol 3-sulfate 17-(β-D-glucosiduronic acid)

  • Molecular FormulaC24H32O11S
  • Average mass528.569 Da
  • Monoisotopic mass528.166504 Da
  • ChemSpider ID4445182

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(17β)-3-(Sulfooxy)estra-1,3,5(10)-trien-17-yl β-D-glucopyranosiduronic acid [ACD/IUPAC Name]
(17β)-3-(Sulfooxy)estra-1,3,5(10)-trien-17-yl-β-D-glucopyranosiduronsäure [German] [ACD/IUPAC Name]
17β-estradiol 3-sulfate 17-(β-D-glucosiduronic acid)
Acide β-D-glucopyranosiduronique de (17β)-3-(sulfooxy)estra-1,3,5(10)-trién-17-yle [French] [ACD/IUPAC Name]
β-D-Glucopyranosiduronic acid, (17β)-3-(sulfooxy)estra-1,3,5(10)-trien-17-yl [ACD/Index Name]
(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-{[(1S,10R,11S,14S,15S)-15-methyl-5-(sulfooxy)tetracyclo[8.7.0.02,7.011,15]heptadeca-2(7),3,5-trien-14-yl]oxy}oxane-2-carboxylic acid
(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-{[(1S,10R,11S,14S,15S)-15-methyl-5-(sulfooxy)tetracyclo[8.7.0.02,7.011,15]heptadeca-2(7),3,5-trien-14-yl]oxy}oxane-2-carboxylic acid
17-β-estradiol 3-sulfate-17-(β-D-glucuronide)
17β-Estradiol 3-sulfate-17-(β-D-glucuronide)
17β-estradiol 3-sulfate-17-(β-D-glucuronoside)
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.661
Molar Refractivity: 123.6±0.4 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 3
ACD/LogP: 1.93
ACD/LogD (pH 5.5): -4.55
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.56
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 188 Å2
Polarizability: 49.0±0.5 10-24cm3
Surface Tension: 84.0±5.0 dyne/cm
Molar Volume: 334.4±5.0 cm3

Click to predict properties on the Chemicalize site


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