ChemSpider 2D Image | (3beta,8xi,9xi,14xi,16xi,17xi)-Spirosol-5-en-3-yl 4-O-(6-deoxy-beta-D-allopyranosyl)-beta-D-allopyranoside | C39H63NO11

(3β,8ξ,9ξ,14ξ,16ξ,17ξ)-Spirosol-5-en-3-yl 4-O-(6-deoxy-β-D-allopyranosyl)-β-D-allopyranoside

  • Molecular FormulaC39H63NO11
  • Average mass721.918 Da
  • Monoisotopic mass721.440125 Da
  • ChemSpider ID4885212

  • defined stereocentres - 14 of 21 defined stereocentres

More details:

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

(3β,8ξ,9ξ,14ξ,16ξ,17ξ)-Spirosol-5-en-3-yl 4-O-(6-deoxy-β-D-allopyranosyl)-β-D-allopyranoside [ACD/IUPAC Name]
(3β,8ξ,9ξ,14ξ,16ξ,17ξ)-Spirosol-5-en-3-yl-4-O-(6-desoxy-β-D-allopyranosyl)-β-D-allopyranosid [German] [ACD/IUPAC Name]
4-O-(6-Désoxy-β-D-allopyranosyl)-β-D-allopyranoside de (3β,8ξ,9ξ,14ξ,16ξ,17ξ)-spirosol-5-én-3-yle [French] [ACD/IUPAC Name]
β-D-Allopyranoside, (3β,8ξ,9ξ,14ξ,16ξ,17ξ)-spirosol-5-en-3-yl 4-O-(6-deoxy-β-D-allopyranosyl)- [ACD/Index Name]
γ2-Solamarine

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

Density: 1.3±0.1 g/cm3
Boiling Point: 847.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 140.0±6.0 kJ/mol
Flash Point: 466.3±34.3 °C
Index of Refraction: 1.611
Molar Refractivity: 187.2±0.4 cm3
#H bond acceptors: 12
#H bond donors: 7
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 3
ACD/LogP: 4.67
ACD/LogD (pH 5.5): 0.83
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.34
ACD/LogD (pH 7.4): 2.35
ACD/BCF (pH 7.4): 17.13
ACD/KOC (pH 7.4): 111.03
Polar Surface Area: 180 Å2
Polarizability: 74.2±0.5 10-24cm3
Surface Tension: 63.9±5.0 dyne/cm
Molar Volume: 539.3±5.0 cm3

Click to predict properties on the Chemicalize site


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