Found 1 result

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

ChemSpider 2D Image | (3beta,5alpha,23S,24R,25S)-3,23-Dihydroxyspirostan-24-yl beta-D-glucopyranoside | C33H54O10

(3β,5α,23S,24R,25S)-3,23-Dihydroxyspirostan-24-yl β-D-glucopyranoside

  • Molecular FormulaC33H54O10
  • Average mass610.776 Da
  • Monoisotopic mass610.371704 Da
  • ChemSpider ID9528918
  • defined stereocentres - 19 of 19 defined stereocentres


More details:






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

(3β,5α,23S,24R,25S)-3,23-Dihydroxyspirostan-24-yl β-D-glucopyranoside [ACD/IUPAC Name]
(3β,5α,23S,24R,25S)-3,23-Dihydroxyspirostan-24-yl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
β-D-Glucopyranoside de (3β,5α,23S,24R,25S)-3,23-dihydroxyspirostan-24-yle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, (3β,5α,23S,24R,25S)-3,23-dihydroxyspirostan-24-yl [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 766.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.9 mmHg at 25°C
Enthalpy of Vaporization: 127.2±6.0 kJ/mol
Flash Point: 417.1±32.9 °C
Index of Refraction: 1.605
Molar Refractivity: 156.4±0.4 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 3
ACD/LogP: 2.75
ACD/LogD (pH 5.5): 2.21
ACD/BCF (pH 5.5): 28.41
ACD/KOC (pH 5.5): 381.95
ACD/LogD (pH 7.4): 2.21
ACD/BCF (pH 7.4): 28.41
ACD/KOC (pH 7.4): 381.95
Polar Surface Area: 158 Å2
Polarizability: 62.0±0.5 10-24cm3
Surface Tension: 64.1±5.0 dyne/cm
Molar Volume: 454.3±5.0 cm3

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