ChemSpider 2D Image | (1beta,3beta,25R)-3-Hydroxyspirost-5-en-1-yl 6-O-acetyl-2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-galactopyranoside | C41H64O14

(1β,3β,25R)-3-Hydroxyspirost-5-en-1-yl 6-O-acetyl-2-O-(6-deoxy-α-L-mannopyranosyl)-β-D-galactopyranoside

  • Molecular FormulaC41H64O14
  • Average mass780.938 Da
  • Monoisotopic mass780.429626 Da
  • ChemSpider ID8994335
  • defined stereocentres - 22 of 22 defined stereocentres


More details:






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

(1β,3β,25R)-3-Hydroxyspirost-5-en-1-yl 6-O-acetyl-2-O-(6-deoxy-α-L-mannopyranosyl)-β-D-galactopyranoside [ACD/IUPAC Name]
(1β,3β,25R)-3-Hydroxyspirost-5-en-1-yl-6-O-acetyl-2-O-(6-desoxy-α-L-mannopyranosyl)-β-D-galactopyranosid [German] [ACD/IUPAC Name]
6-O-Acétyl-2-O-(6-désoxy-α-L-mannopyranosyl)-β-D-galactopyranoside de (1β,3β,25R)-3-hydroxyspirost-5-én-1-yle [French] [ACD/IUPAC Name]
β-D-Galactopyranoside, (1β,3β,25R)-3-hydroxyspirost-5-en-1-yl 2-O-(6-deoxy-α-L-mannopyranosyl)-, 6-acetate [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 874.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 144.4±6.0 kJ/mol
Flash Point: 259.1±27.8 °C
Index of Refraction: 1.601
Molar Refractivity: 196.4±0.4 cm3
#H bond acceptors: 14
#H bond donors: 6
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 4
ACD/LogP: 5.61
ACD/LogD (pH 5.5): 4.44
ACD/BCF (pH 5.5): 1398.95
ACD/KOC (pH 5.5): 6213.90
ACD/LogD (pH 7.4): 4.44
ACD/BCF (pH 7.4): 1398.94
ACD/KOC (pH 7.4): 6213.83
Polar Surface Area: 203 Å2
Polarizability: 77.8±0.5 10-24cm3
Surface Tension: 64.0±5.0 dyne/cm
Molar Volume: 573.0±5.0 cm3

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