ChemSpider 2D Image | (3β,25R)-Spirost-5-en-3-yl 2-O-β-D-glucopyranosyl-β-D-glucopyranoside | C39H62O13

(3β,25R)-Spirost-5-en-3-yl 2-O-β-D-glucopyranosyl-β-D-glucopyranoside

  • Molecular FormulaC39H62O13
  • Average mass738.902 Da
  • Monoisotopic mass738.419067 Da
  • ChemSpider ID23320144

  • defined stereocentres - 21 of 21 defined stereocentres

More details:

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

(3β,25R)-Spirost-5-en-3-yl 2-O-β-D-glucopyranosyl-β-D-glucopyranoside
(3β,25R)-Spirost-5-en-3-yl 2-O-β-D-glucopyranosyl-β-D-glucopyranoside [ACD/IUPAC Name]
(3β,25R)-Spirost-5-en-3-yl-2-O-β-D-glucopyranosyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
2-O-β-D-Glucopyranosyl-β-D-glucopyranoside de (3β,25R)-spirost-5-én-3-yle [French] [ACD/IUPAC Name]
94805-85-3 [RN]
β-D-Glucopyranoside, (3β,25R)-spirost-5-en-3-yl 2-O-β-D-glucopyranosyl- [ACD/Index Name]
diosgenyl β-D-glucopyranosyl-(1->2)-β-D-glucopyranoside
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL428816/

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

Density: 1.4±0.1 g/cm3
Boiling Point: 872.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 144.1±6.0 kJ/mol
Flash Point: 481.6±34.3 °C
Index of Refraction: 1.615
Molar Refractivity: 186.8±0.4 cm3
#H bond acceptors: 13
#H bond donors: 7
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: 3.63
ACD/LogD (pH 5.5): 3.10
ACD/BCF (pH 5.5): 133.02
ACD/KOC (pH 5.5): 1153.24
ACD/LogD (pH 7.4): 3.10
ACD/BCF (pH 7.4): 133.02
ACD/KOC (pH 7.4): 1153.22
Polar Surface Area: 197 Å2
Polarizability: 74.1±0.5 10-24cm3
Surface Tension: 67.6±5.0 dyne/cm
Molar Volume: 535.0±5.0 cm3

Click to predict properties on the Chemicalize site


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