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Search term: MLRAUEYLTHBQRD (Found by InChIKey (skeleton match))

ChemSpider 2D Image | (3beta,5alpha,6alpha,25R)-6-Hydroxyspirostan-3-yl beta-D-glucopyranoside | C33H54O9

(3β,5α,6α,25R)-6-Hydroxyspirostan-3-yl β-D-glucopyranoside

  • Molecular FormulaC33H54O9
  • Average mass594.776 Da
  • Monoisotopic mass594.376770 Da
  • ChemSpider ID17263276
  • defined stereocentres - 18 of 18 defined stereocentres


More details:






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

(3β,5α,6α,25R)-6-Hydroxyspirostan-3-yl β-D-glucopyranoside [ACD/IUPAC Name]
(3β,5α,6α,25R)-6-Hydroxyspirostan-3-yl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
β-D-Glucopyranoside de (3β,5α,6α,25R)-6-hydroxyspirostan-3-yle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, (3β,5α,6α,25R)-6-hydroxyspirostan-3-yl [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 726.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.4 mmHg at 25°C
Enthalpy of Vaporization: 121.2±6.0 kJ/mol
Flash Point: 393.4±32.9 °C
Index of Refraction: 1.594
Molar Refractivity: 154.9±0.4 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: 2.36
ACD/LogD (pH 5.5): 2.34
ACD/BCF (pH 5.5): 35.48
ACD/KOC (pH 5.5): 447.81
ACD/LogD (pH 7.4): 2.34
ACD/BCF (pH 7.4): 35.48
ACD/KOC (pH 7.4): 447.81
Polar Surface Area: 138 Å2
Polarizability: 61.4±0.5 10-24cm3
Surface Tension: 60.0±5.0 dyne/cm
Molar Volume: 456.5±5.0 cm3

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