ChemSpider 2D Image | (3beta,25R)-17-Hydroxyspirost-5-en-3-yl 2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside | C39H62O13

(3β,25R)-17-Hydroxyspirost-5-en-3-yl 2-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranoside

  • Molecular FormulaC39H62O13
  • Average mass738.902 Da
  • Monoisotopic mass738.419067 Da
  • ChemSpider ID8592982

  • defined stereocentres - 21 of 21 defined stereocentres

More details:

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

(3β,25R)-17-Hydroxyspirost-5-en-3-yl 2-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranoside [ACD/IUPAC Name]
(3β,25R)-17-Hydroxyspirost-5-en-3-yl-2-O-(6-desoxy-α-L-mannopyranosyl)-β-D-glucopyranosid [German] [ACD/IUPAC Name]
2-O-(6-Désoxy-α-L-mannopyranosyl)-β-D-glucopyranoside de (3β,25R)-17-hydroxyspirost-5-én-3-yle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, (3β,25R)-17-hydroxyspirost-5-en-3-yl 2-O-(6-deoxy-α-L-mannopyranosyl)- [ACD/Index Name]
(25R)-17-α-hydroxyspirost-5-en-3-β-yl-O-α-L-rhamnopyranosyl-(1->2)-β-D-glucopyranoside
55916-51-3 [RN]
BS-17242
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL478738/
MFCD13195303
Polyphyllin VI

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

Density: 1.4±0.1 g/cm3
Boiling Point: 871.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 143.9±6.0 kJ/mol
Flash Point: 480.7±34.3 °C
Index of Refraction: 1.616
Molar Refractivity: 186.8±0.4 cm3
#H bond acceptors: 13
#H bond donors: 7
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 4
ACD/LogP: 6.09
ACD/LogD (pH 5.5): 4.62
ACD/BCF (pH 5.5): 1903.03
ACD/KOC (pH 5.5): 7745.05
ACD/LogD (pH 7.4): 4.62
ACD/BCF (pH 7.4): 1903.01
ACD/KOC (pH 7.4): 7744.96
Polar Surface Area: 197 Å2
Polarizability: 74.1±0.5 10-24cm3
Surface Tension: 67.4±5.0 dyne/cm
Molar Volume: 534.8±5.0 cm3

Click to predict properties on the Chemicalize site


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