ChemSpider 2D Image | (1beta,3beta,5alpha,25S)-3-Hydroxyspirostan-1-yl 6-deoxy-4-O-sulfo-beta-L-galactopyranoside | C33H54O11S

(1β,3β,5α,25S)-3-Hydroxyspirostan-1-yl 6-deoxy-4-O-sulfo-β-L-galactopyranoside

  • Molecular FormulaC33H54O11S
  • Average mass658.840 Da
  • Monoisotopic mass658.338684 Da
  • ChemSpider ID8207880

  • defined stereocentres - 18 of 18 defined stereocentres

More details:

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

(1β,3β,5α,25S)-3-Hydroxyspirostan-1-yl 6-deoxy-4-O-sulfo-β-L-galactopyranoside [ACD/IUPAC Name]
(1β,3β,5α,25S)-3-Hydroxyspirostan-1-yl-6-desoxy-4-O-sulfo-β-L-galactopyranosid [German] [ACD/IUPAC Name]
6-Désoxy-4-O-sulfo-β-L-galactopyranoside de (1β,3β,5α,25S)-3-hydroxyspirostan-1-yle [French] [ACD/IUPAC Name]
β-L-Galactopyranoside, (1β,3β,5α,25S)-3-hydroxyspirostan-1-yl 6-deoxy-, 4-(hydrogen sulfate) [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL447213/

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: 1.593
Molar Refractivity: 163.9±0.4 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 4.71
ACD/LogD (pH 5.5): -0.92
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.92
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 170 Å2
Polarizability: 65.0±0.5 10-24cm3
Surface Tension: 61.2±5.0 dyne/cm
Molar Volume: 483.9±5.0 cm3

Click to predict properties on the Chemicalize site


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