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

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

  • Molecular FormulaC39H62O13
  • Average mass738.902 Da
  • Monoisotopic mass738.419067 Da
  • ChemSpider ID34451124

  • 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 3-O-β-D-galactopyranosyl-β-D-glucopyranoside [ACD/IUPAC Name]
(3β,25R)-Spirost-5-en-3-yl-3-O-β-D-galactopyranosyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
3-O-β-D-Galactopyranosyl-β-D-glucopyranoside de (3β,25R)-spirost-5-én-3-yle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, (3β,25R)-spirost-5-en-3-yl 3-O-β-D-galactopyranosyl- [ACD/Index Name]
68127-19-5 [RN]
Spirostan [ACD/Index Name] [ACD/IUPAC 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: 883.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 145.8±6.0 kJ/mol
Flash Point: 488.0±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: 3.47
ACD/LogD (pH 5.5): 3.03
ACD/BCF (pH 5.5): 118.31
ACD/KOC (pH 5.5): 1060.45
ACD/LogD (pH 7.4): 3.03
ACD/BCF (pH 7.4): 118.31
ACD/KOC (pH 7.4): 1060.43
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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