ChemSpider 2D Image | (3beta,25R)-Spirost-5-en-3-yl 6-O-acetyl-2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside | C41H64O13

(3β,25R)-Spirost-5-en-3-yl 6-O-acetyl-2-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranoside

  • Molecular FormulaC41H64O13
  • Average mass764.939 Da
  • Monoisotopic mass764.434692 Da
  • ChemSpider ID9269056

  • defined stereocentres - 21 of 21 defined stereocentres

More details:

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

(3β,25R)-Spirost-5-en-3-yl 6-O-acetyl-2-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranoside [ACD/IUPAC Name]
(3β,25R)-Spirost-5-en-3-yl-6-O-acetyl-2-O-(6-desoxy-α-L-mannopyranosyl)-β-D-glucopyranosid [German] [ACD/IUPAC Name]
6-O-Acétyl-2-O-(6-désoxy-α-L-mannopyranosyl)-β-D-glucopyranoside de (3β,25R)-spirost-5-én-3-yle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, (3β,25R)-spirost-5-en-3-yl 2-O-(6-deoxy-α-L-mannopyranosyl)-, 6-acetate [ACD/Index Name]
[(2R,3S,4S,5R,6R)-3,4-dihydroxy-6-[(1'S,2R,2'S,4'S,5R,7'S,8'R,9'S,12'S,13'R,16'S)-5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.02,9.04,8.013,18]icosan]-18'-eneoxy]-5-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]methyl acetate
[(2R,3S,4S,5R,6R)-3,4-dihydroxy-6-[(1'S,2R,2'S,4'S,5R,7'S,8'R,9'S,12'S,13'R,16'S)-5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.02,9.04,8.013,18]icosan]-18'-eneoxy]-5-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]methyl acetatediosgenyl α-L-rhamnopyranosyl-(1->;2)-6-O-acetyl-β-D-glucopyranoside
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL389872/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 844.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 139.6±6.0 kJ/mol
Flash Point: 249.9±27.8 °C
Index of Refraction: 1.593
Molar Refractivity: 194.9±0.4 cm3
#H bond acceptors: 13
#H bond donors: 5
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 4
ACD/LogP: 7.27
ACD/LogD (pH 5.5): 5.82
ACD/BCF (pH 5.5): 15465.70
ACD/KOC (pH 5.5): 34700.68
ACD/LogD (pH 7.4): 5.82
ACD/BCF (pH 7.4): 15465.52
ACD/KOC (pH 7.4): 34700.27
Polar Surface Area: 183 Å2
Polarizability: 77.2±0.5 10-24cm3
Surface Tension: 60.7±5.0 dyne/cm
Molar Volume: 575.2±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement