ChemSpider 2D Image | (1beta,3beta,4alpha,5alpha,22S,25R)-3,4-Dihydroxyspirostan-1-yl 6-deoxy-beta-D-galactopyranoside | C33H54O9

(1β,3β,4α,5α,22S,25R)-3,4-Dihydroxyspirostan-1-yl 6-deoxy-β-D-galactopyranoside

  • Molecular FormulaC33H54O9
  • Average mass594.776 Da
  • Monoisotopic mass594.376770 Da
  • ChemSpider ID128439453
  • defined stereocentres - 19 of 19 defined stereocentres


More details:






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

(1β,3β,4α,5α,22S,25R)-3,4-Dihydroxyspirostan-1-yl 6-deoxy-β-D-galactopyranoside [ACD/IUPAC Name]
(1β,3β,4α,5α,22S,25R)-3,4-Dihydroxyspirostan-1-yl-6-desoxy-β-D-galactopyranosid [German] [ACD/IUPAC Name]
6-Désoxy-β-D-galactopyranoside de (1β,3β,4α,5α,22S,25R)-3,4-dihydroxyspirostan-1-yle [French] [ACD/IUPAC Name]
β-D-Galactopyranoside, (1β,3β,4α,5α,22S,25R)-3,4-dihydroxyspirostan-1-yl 6-deoxy- [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL4465960/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 706.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.1 mmHg at 25°C
Enthalpy of Vaporization: 118.2±6.0 kJ/mol
Flash Point: 381.2±32.9 °C
Index of Refraction: 1.593
Molar Refractivity: 154.9±0.4 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 2
ACD/LogP: 4.40
ACD/LogD (pH 5.5): 3.52
ACD/BCF (pH 5.5): 280.29
ACD/KOC (pH 5.5): 1966.10
ACD/LogD (pH 7.4): 3.52
ACD/BCF (pH 7.4): 280.29
ACD/KOC (pH 7.4): 1966.09
Polar Surface Area: 138 Å2
Polarizability: 61.4±0.5 10-24cm3
Surface Tension: 59.3±5.0 dyne/cm
Molar Volume: 457.1±5.0 cm3

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