ChemSpider 2D Image | CSID:8616491 | C51H80O21

  • Molecular FormulaC51H80O21
  • Average mass1029.168 Da
  • Monoisotopic mass1028.519165 Da
  • ChemSpider ID8616491

  • defined stereocentres - 26 of 26 defined stereocentres

More details:

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

(3S)-3-Hydroxy-3-méthylpentanedioate de (3β,25R)-3-{[α-L-arabinopyranosyl-(1->3)-[6-désoxy-α-L-mannopyranosyl-(1->2)]-β-D-glucopyranosyl]oxy}spirost-5-én-27-yle et de méthyle [French] [ACD/IUPAC Name]
(3β,25R)-3-{[α-L-Arabinopyranosyl-(1->3)-[6-desoxy-α-L-mannopyranosyl-(1->2)]-β-D-glucopyranosyl]oxy}spirost-5-en-27-yl-methyl-(3S)-3-hydroxy-3-methylpentandioat [German] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.611
Molar Refractivity: 250.5±0.4 cm3
#H bond acceptors: 21
#H bond donors: 9
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 4
ACD/LogP: 5.28
ACD/LogD (pH 5.5): 3.94
ACD/BCF (pH 5.5): 584.88
ACD/KOC (pH 5.5): 3326.52
ACD/LogD (pH 7.4): 3.94
ACD/BCF (pH 7.4): 584.88
ACD/KOC (pH 7.4): 3326.51
Polar Surface Area: 309 Å2
Polarizability: 99.3±0.5 10-24cm3
Surface Tension: 71.7±5.0 dyne/cm
Molar Volume: 721.4±5.0 cm3

Click to predict properties on the Chemicalize site


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