ChemSpider 2D Image | (3beta,16alpha,17alpha,20R)-3,20-Dihydroxypregn-5-en-16-yl 6-O-sulfo-beta-D-glucopyranoside | C27H44O11S

(3β,16α,17α,20R)-3,20-Dihydroxypregn-5-en-16-yl 6-O-sulfo-β-D-glucopyranoside

  • Molecular FormulaC27H44O11S
  • Average mass576.697 Da
  • Monoisotopic mass576.260437 Da
  • ChemSpider ID9672866

  • defined stereocentres - 13 of 14 defined stereocentres

More details:

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

(3β,16α,17α,20R)-3,20-Dihydroxypregn-5-en-16-yl 6-O-sulfo-β-D-glucopyranoside [ACD/IUPAC Name]
(3β,16α,17α,20R)-3,20-Dihydroxypregn-5-en-16-yl-6-O-sulfo-β-D-glucopyranosid [German] [ACD/IUPAC Name]
6-O-Sulfo-β-D-glucopyranoside de (3β,16α,17α,20R)-3,20-dihydroxyprégn-5-én-16-yle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, (3β,16α,17α,20R)-3,20-dihydroxypregn-5-en-16-yl, 6-(hydrogen sulfate) [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.617
Molar Refractivity: 139.5±0.4 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: 3.36
ACD/LogD (pH 5.5): -2.53
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.53
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 192 Å2
Polarizability: 55.3±0.5 10-24cm3
Surface Tension: 71.4±5.0 dyne/cm
Molar Volume: 398.8±5.0 cm3

Click to predict properties on the Chemicalize site


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