ChemSpider 2D Image | (3beta,8xi,9xi,14xi,16xi,17xi,25R)-26-(beta-D-Glucopyranosyloxy)-22-hydroxy-12-oxofurost-5-en-3-yl 6-deoxy-4-O-beta-D-glucopyranosyl-beta-D-galactopyranoside | C45H72O19

(3β,8ξ,9ξ,14ξ,16ξ,17ξ,25R)-26-(β-D-Glucopyranosyloxy)-22-hydroxy-12-oxofurost-5-en-3-yl 6-deoxy-4-O-β-D-glucopyranosyl-β-D-galactopyranoside

  • Molecular FormulaC45H72O19
  • Average mass917.042 Da
  • Monoisotopic mass916.466797 Da
  • ChemSpider ID2343233

  • defined stereocentres - 20 of 26 defined stereocentres

More details:

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

(3β,8ξ,9ξ,14ξ,16ξ,17ξ,25R)-26-(β-D-Glucopyranosyloxy)-22-hydroxy-12-oxofurost-5-en-3-yl 6-deoxy-4-O-β-D-glucopyranosyl-β-D-galactopyranoside [ACD/IUPAC Name]
(3β,8ξ,9ξ,14ξ,16ξ,17ξ,25R)-26-(β-D-Glucopyranosyloxy)-22-hydroxy-12-oxofurost-5-en-3-yl-6-desoxy-4-O-β-D-glucopyranosyl-β-D-galactopyranosid [German] [ACD/IUPAC Name]
6-Désoxy-4-O-β-D-glucopyranosyl-β-D-galactopyranoside de (3β,8ξ,9ξ,14ξ,16ξ,17ξ,25R)-26-(β-D-glucopyranosyloxy)-22-hydroxy-12-oxofurost-5-én-3-yle [French] [ACD/IUPAC Name]
Furost-5-en-12-one, 3-[(6-deoxy-4-O-β-D-glucopyranosyl-β-D-galactopyranosyl)oxy]-26-(β-D-glucopyranosyloxy)-22-hydroxy-, (3β,8ξ,9ξ,14ξ,16ξ,17ξ,25R)- [ACD/Index Name]
145854-05-3 [RN]
Kingianoside D

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

Density: 1.5±0.1 g/cm3
Boiling Point: 1039.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 172.1±6.0 kJ/mol
Flash Point: 301.2±27.8 °C
Index of Refraction: 1.631
Molar Refractivity: 222.5±0.4 cm3
#H bond acceptors: 19
#H bond donors: 11
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: -1.53
ACD/LogD (pH 5.5): -1.35
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.37
ACD/LogD (pH 7.4): -1.35
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.37
Polar Surface Area: 304 Å2
Polarizability: 88.2±0.5 10-24cm3
Surface Tension: 78.1±5.0 dyne/cm
Molar Volume: 624.8±5.0 cm3

Click to predict properties on the Chemicalize site


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