ChemSpider 2D Image | (3beta,4beta,5alpha)-3,19-Dihydroxypregn-20-en-4-yl 3-O-sulfo-beta-D-glucopyranoside | C27H44O11S

(3β,4β,5α)-3,19-Dihydroxypregn-20-en-4-yl 3-O-sulfo-β-D-glucopyranoside

  • Molecular FormulaC27H44O11S
  • Average mass576.697 Da
  • Monoisotopic mass576.260437 Da
  • ChemSpider ID26375103

  • defined stereocentres - 14 of 14 defined stereocentres

More details:

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

(3β,4β,5α)-3,19-Dihydroxypregn-20-en-4-yl 3-O-sulfo-β-D-glucopyranoside [ACD/IUPAC Name]
(3β,4β,5α)-3,19-Dihydroxypregn-20-en-4-yl-3-O-sulfo-β-D-glucopyranosid [German] [ACD/IUPAC Name]
3-O-Sulfo-β-D-glucopyranoside de (3β,4β,5α)-3,19-dihydroxyprégn-20-én-4-yle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, (3β,4β,5α)-3,19-dihydroxypregn-20-en-4-yl, 3-(hydrogen sulfate) [ACD/Index Name]
4-β-(3'-sulfo-β-D-glucopyranosyloxy)-5α-pregn-20-en-3β,19-diol
5α-pregn-20-en-3β,4β,19-triol 4-(3'-sulfo-β-D-glucopyranoside)
PTILOSAPONOSIDE B

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: 1.614
Molar Refractivity: 139.6±0.4 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 3.58
ACD/LogD (pH 5.5): -2.24
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.24
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 192 Å2
Polarizability: 55.4±0.5 10-24cm3
Surface Tension: 71.2±5.0 dyne/cm
Molar Volume: 400.9±5.0 cm3

Click to predict properties on the Chemicalize site


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