ChemSpider 2D Image | (3beta,8xi,9xi,14xi,16xi,17xi,25R)-Spirost-5-en-3-yl beta-D-glucopyranoside | C33H52O8

(3β,8ξ,9ξ,14ξ,16ξ,17ξ,25R)-Spirost-5-en-3-yl β-D-glucopyranoside

  • Molecular FormulaC33H52O8
  • Average mass576.761 Da
  • Monoisotopic mass576.366211 Da
  • ChemSpider ID8658668
  • defined stereocentres - 11 of 16 defined stereocentres


More details:






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

(3β,8ξ,9ξ,14ξ,16ξ,17ξ,25R)-Spirost-5-en-3-yl β-D-glucopyranoside [ACD/IUPAC Name]
(3β,8ξ,9ξ,14ξ,16ξ,17ξ,25R)-Spirost-5-en-3-yl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
β-D-Glucopyranoside de (3β,8ξ,9ξ,14ξ,16ξ,17ξ,25R)-spirost-5-én-3-yle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, (3β,8ξ,9ξ,14ξ,16ξ,17ξ,25R)-spirost-5-en-3-yl [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 705.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.1 mmHg at 25°C
Enthalpy of Vaporization: 117.9±6.0 kJ/mol
Flash Point: 380.2±32.9 °C
Index of Refraction: 1.594
Molar Refractivity: 153.1±0.4 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 3.89
ACD/LogD (pH 5.5): 3.65
ACD/BCF (pH 5.5): 353.25
ACD/KOC (pH 5.5): 2320.18
ACD/LogD (pH 7.4): 3.65
ACD/BCF (pH 7.4): 353.25
ACD/KOC (pH 7.4): 2320.16
Polar Surface Area: 118 Å2
Polarizability: 60.7±0.5 10-24cm3
Surface Tension: 57.3±5.0 dyne/cm
Molar Volume: 451.3±5.0 cm3

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