ChemSpider 2D Image | (3beta,9beta,22S)-28-Hydroxy-26,28-dioxo-22,26-epoxy-9,19-cyclolanost-24-en-3-yl 2-O-beta-D-glucopyranuronosyl-beta-D-glucopyranoside | C42H62O16

(3β,9β,22S)-28-Hydroxy-26,28-dioxo-22,26-epoxy-9,19-cyclolanost-24-en-3-yl 2-O-β-D-glucopyranuronosyl-β-D-glucopyranoside

  • Molecular FormulaC42H62O16
  • Average mass822.932 Da
  • Monoisotopic mass822.403809 Da
  • ChemSpider ID24708584

  • defined stereocentres - 21 of 21 defined stereocentres

More details:

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

(3β,9β,22S)-28-Hydroxy-26,28-dioxo-22,26-epoxy-9,19-cyclolanost-24-en-3-yl 2-O-β-D-glucopyranuronosyl-β-D-glucopyranoside [ACD/IUPAC Name]
(3β,9β,22S)-28-Hydroxy-26,28-dioxo-22,26-epoxy-9,19-cyclolanost-24-en-3-yl-2-O-β-D-glucopyranuronosyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
2-O-β-D-Glucopyranuronosyl-β-D-glucopyranoside de (3β,9β,22S)-28-hydroxy-26,28-dioxo-22,26-époxy-9,19-cyclolanost-24-én-3-yle [French] [ACD/IUPAC Name]
9,19-Cyclolanost-24-en-28-oic acid, 22,26-epoxy-3-[(2-O-β-D-glucopyranuronosyl-β-D-glucopyranosyl)oxy]-26-oxo-, (3β,9β,22S)- [ACD/Index Name]
(22S,24Z)-3β-(β-D-glucuronopyranosyl-(1-2)-β-D-glucopyranosyloxy)-26-oxo-22,26-epoxy-9β,19-cyclolanost- 24-en-28-oic acid
Abrusogenin-3-β-D-glucopyranosyl)-(1-2)-β-D-glucuronopyranoside
Abrusoside D

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

Density: 1.5±0.1 g/cm3
Boiling Point: 1000.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 165.4±6.0 kJ/mol
Flash Point: 298.7±27.8 °C
Index of Refraction: 1.631
Molar Refractivity: 200.9±0.4 cm3
#H bond acceptors: 16
#H bond donors: 8
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 3.98
ACD/LogD (pH 5.5): -1.49
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.35
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 259 Å2
Polarizability: 79.6±0.5 10-24cm3
Surface Tension: 75.7±5.0 dyne/cm
Molar Volume: 563.8±5.0 cm3

Click to predict properties on the Chemicalize site


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