Found 1 result

Search term: YXTYWSJYAVWBTF (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (1beta,3beta,5beta,8xi,9xi,14xi,25S)-1,3-Dihydroxyspirostan-5-yl beta-D-glucopyranoside | C33H54O10

(1β,3β,5β,8ξ,9ξ,14ξ,25S)-1,3-Dihydroxyspirostan-5-yl β-D-glucopyranoside

  • Molecular FormulaC33H54O10
  • Average mass610.776 Da
  • Monoisotopic mass610.371704 Da
  • ChemSpider ID29814196

  • defined stereocentres - 15 of 18 defined stereocentres

More details:

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

(1β,3β,5β,8ξ,9ξ,14ξ,25S)-1,3-Dihydroxyspirostan-5-yl β-D-glucopyranoside [ACD/IUPAC Name]
(1β,3β,5β,8ξ,9ξ,14ξ,25S)-1,3-Dihydroxyspirostan-5-yl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
β-D-Glucopyranoside de (1β,3β,5β,8ξ,9ξ,14ξ,25S)-1,3-dihydroxyspirostan-5-yle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, (1β,3β,5β,8ξ,9ξ,14ξ,25S)-1,3-dihydroxyspirostan-5-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: 753.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.7 mmHg at 25°C
Enthalpy of Vaporization: 125.3±6.0 kJ/mol
Flash Point: 409.6±32.9 °C
Index of Refraction: 1.606
Molar Refractivity: 156.5±0.4 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 3
ACD/LogP: 1.14
ACD/LogD (pH 5.5): 1.25
ACD/BCF (pH 5.5): 5.28
ACD/KOC (pH 5.5): 114.54
ACD/LogD (pH 7.4): 1.25
ACD/BCF (pH 7.4): 5.28
ACD/KOC (pH 7.4): 114.54
Polar Surface Area: 158 Å2
Polarizability: 62.0±0.5 10-24cm3
Surface Tension: 64.6±5.0 dyne/cm
Molar Volume: 453.5±5.0 cm3

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