ChemSpider 2D Image | (3beta,25R)-16,22-Dioxo-26-(beta-D-xylopyranosyloxy)cholest-5-en-3-yl 6-deoxy-alpha-L-mannopyranoside | C38H60O12

(3β,25R)-16,22-Dioxo-26-(β-D-xylopyranosyloxy)cholest-5-en-3-yl 6-deoxy-α-L-mannopyranoside

  • Molecular FormulaC38H60O12
  • Average mass708.876 Da
  • Monoisotopic mass708.408447 Da
  • ChemSpider ID23292350

  • defined stereocentres - 18 of 18 defined stereocentres

More details:

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

(3β,25R)-16,22-Dioxo-26-(β-D-xylopyranosyloxy)cholest-5-en-3-yl 6-deoxy-α-L-mannopyranoside [ACD/IUPAC Name]
(3β,25R)-16,22-Dioxo-26-(β-D-xylopyranosyloxy)cholest-5-en-3-yl-6-desoxy-α-L-mannopyranosid [German] [ACD/IUPAC Name]
6-Désoxy-α-L-mannopyranoside de (3β,25R)-16,22-dioxo-26-(β-D-xylopyranosyloxy)cholest-5-én-3-yle [French] [ACD/IUPAC Name]
Cholest-5-ene-16,22-dione, 3-[(6-deoxy-α-L-mannopyranosyl)oxy]-26-(β-D-xylopyranosyloxy)-, (3β,25R)- [ACD/Index Name]
(3S,8S,9S,10R,13S,14S,17R)-10,13-dimethyl-17-((2S,6R)-6-methyl-3-oxo-7-((2R,3R,4S,5R)-3,4,5-trihydroxy-tetrahydro-2H-pyran-2-yloxy)heptan-2-yl)-3-((2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydro-2H-pyran-2-yloxy)-1,3,4,7,8,10,11,12,13,14,15,17-dodec
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL395781/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 851.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 140.7±6.0 kJ/mol
Flash Point: 257.0±27.8 °C
Index of Refraction: 1.588
Molar Refractivity: 181.5±0.4 cm3
#H bond acceptors: 12
#H bond donors: 6
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 4.22
ACD/LogD (pH 5.5): 2.70
ACD/BCF (pH 5.5): 66.53
ACD/KOC (pH 5.5): 702.32
ACD/LogD (pH 7.4): 2.70
ACD/BCF (pH 7.4): 66.53
ACD/KOC (pH 7.4): 702.31
Polar Surface Area: 192 Å2
Polarizability: 72.0±0.5 10-24cm3
Surface Tension: 61.9±5.0 dyne/cm
Molar Volume: 539.4±5.0 cm3

Click to predict properties on the Chemicalize site


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