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

ChemSpider 2D Image | (3beta,17Z,25R)-26-(beta-D-Glucopyranosyloxy)-16,22-dioxocholesta-5,17-dien-3-yl 4-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside | C45H70O18

(3β,17Z,25R)-26-(β-D-Glucopyranosyloxy)-16,22-dioxocholesta-5,17-dien-3-yl 4-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranoside

  • Molecular FormulaC45H70O18
  • Average mass899.026 Da
  • Monoisotopic mass898.456238 Da
  • ChemSpider ID76793507
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 22 of 22 defined stereocentres


More details:






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

(3β,17Z,25R)-26-(β-D-Glucopyranosyloxy)-16,22-dioxocholesta-5,17-dien-3-yl 4-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranoside [ACD/IUPAC Name]
(3β,17Z,25R)-26-(β-D-Glucopyranosyloxy)-16,22-dioxocholesta-5,17-dien-3-yl-4-O-(6-desoxy-α-L-mannopyranosyl)-β-D-glucopyranosid [German] [ACD/IUPAC Name]
4-O-(6-Désoxy-α-L-mannopyranosyl)-β-D-glucopyranoside de (3β,17Z,25R)-26-(β-D-glucopyranosyloxy)-16,22-dioxocholesta-5,17-dién-3-yle [French] [ACD/IUPAC Name]
Cholesta-5,17-diene-16,22-dione, 3-[[4-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-26-(β-D-glucopyranosyloxy)-, (3β,17Z,25R)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 1034.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 171.2±6.0 kJ/mol
Flash Point: 300.0±27.8 °C
Index of Refraction: 1.621
Molar Refractivity: 220.9±0.4 cm3
#H bond acceptors: 18
#H bond donors: 10
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: 0.82
ACD/LogD (pH 5.5): 0.28
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 33.96
ACD/LogD (pH 7.4): 0.28
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 33.96
Polar Surface Area: 292 Å2
Polarizability: 87.6±0.5 10-24cm3
Surface Tension: 74.4±5.0 dyne/cm
Molar Volume: 628.1±5.0 cm3

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