ChemSpider 2D Image | (1S,4S,5R)-4-[(3R)-3-Hydroxybutyl]-3,3,5-trimethylcyclohexyl 6-O-beta-D-xylopyranosyl-beta-D-glucopyranoside | C24H44O11

(1S,4S,5R)-4-[(3R)-3-Hydroxybutyl]-3,3,5-trimethylcyclohexyl 6-O-β-D-xylopyranosyl-β-D-glucopyranoside

  • Molecular FormulaC24H44O11
  • Average mass508.600 Da
  • Monoisotopic mass508.288361 Da
  • ChemSpider ID10260636

  • defined stereocentres - 13 of 13 defined stereocentres

More details:

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

(1S,4S,5R)-4-[(3R)-3-Hydroxybutyl]-3,3,5-trimethylcyclohexyl 6-O-β-D-xylopyranosyl-β-D-glucopyranoside [ACD/IUPAC Name]
(1S,4S,5R)-4-[(3R)-3-Hydroxybutyl]-3,3,5-trimethylcyclohexyl-6-O-β-D-xylopyranosyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
6-O-β-D-Xylopyranosyl-β-D-glucopyranoside de (1S,4S,5R)-4-[(3R)-3-hydroxybutyl]-3,3,5-triméthylcyclohexyle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, (1S,4S,5R)-4-[(3R)-3-hydroxybutyl]-3,3,5-trimethylcyclohexyl 6-O-β-D-xylopyranosyl- [ACD/Index Name]
168009-96-9 [RN]
alangionoside K

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

Density: 1.3±0.1 g/cm3
Boiling Point: 691.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.9 mmHg at 25°C
Enthalpy of Vaporization: 115.8±6.0 kJ/mol
Flash Point: 371.7±31.5 °C
Index of Refraction: 1.570
Molar Refractivity: 124.5±0.4 cm3
#H bond acceptors: 11
#H bond donors: 7
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 2.66
ACD/LogD (pH 5.5): 0.49
ACD/BCF (pH 5.5): 1.38
ACD/KOC (pH 5.5): 43.88
ACD/LogD (pH 7.4): 0.49
ACD/BCF (pH 7.4): 1.38
ACD/KOC (pH 7.4): 43.88
Polar Surface Area: 179 Å2
Polarizability: 49.3±0.5 10-24cm3
Surface Tension: 64.0±5.0 dyne/cm
Molar Volume: 379.5±5.0 cm3

Click to predict properties on the Chemicalize site


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