ChemSpider 2D Image | (3beta,8xi,9xi,16xi)-14-Hydroxyspirost-5-en-3-yl 4-O-alpha-D-glucopyranosyl-alpha-D-galactopyranoside | C39H62O14

(3β,8ξ,9ξ,16ξ)-14-Hydroxyspirost-5-en-3-yl 4-O-α-D-glucopyranosyl-α-D-galactopyranoside

  • Molecular FormulaC39H62O14
  • Average mass754.901 Da
  • Monoisotopic mass754.413940 Da
  • ChemSpider ID8525599

  • defined stereocentres - 17 of 21 defined stereocentres

More details:

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

(3β,8ξ,9ξ,16ξ)-14-Hydroxyspirost-5-en-3-yl 4-O-α-D-glucopyranosyl-α-D-galactopyranoside [ACD/IUPAC Name]
(3β,8ξ,9ξ,16ξ)-14-Hydroxyspirost-5-en-3-yl-4-O-α-D-glucopyranosyl-α-D-galactopyranosid [German] [ACD/IUPAC Name]
4-O-α-D-Glucopyranosyl-α-D-galactopyranoside de (3β,8ξ,9ξ,16ξ)-14-hydroxyspirost-5-én-3-yle [French] [ACD/IUPAC Name]
α-D-Galactopyranoside, (3β,8ξ,9ξ,16ξ)-14-hydroxyspirost-5-en-3-yl 4-O-α-D-glucopyranosyl- [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: 902.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 148.9±6.0 kJ/mol
Flash Point: 499.3±34.3 °C
Index of Refraction: 1.626
Molar Refractivity: 188.4±0.4 cm3
#H bond acceptors: 14
#H bond donors: 8
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: 1.80
ACD/LogD (pH 5.5): 1.52
ACD/BCF (pH 5.5): 8.43
ACD/KOC (pH 5.5): 160.08
ACD/LogD (pH 7.4): 1.52
ACD/BCF (pH 7.4): 8.43
ACD/KOC (pH 7.4): 160.08
Polar Surface Area: 217 Å2
Polarizability: 74.7±0.5 10-24cm3
Surface Tension: 72.0±5.0 dyne/cm
Molar Volume: 531.9±5.0 cm3

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