ChemSpider 2D Image | regulusoside C | C39H68O14

regulusoside C

  • Molecular FormulaC39H68O14
  • Average mass760.949 Da
  • Monoisotopic mass760.460938 Da
  • ChemSpider ID60597164

  • defined stereocentres - 20 of 20 defined stereocentres

More details:

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

(3β,5α,6β,15α,24S)-3,5,6,8,15-Pentahydroxycholestan-24-yl 3-O-methyl-2-O-(2-O-methyl-β-D-xylopyranosyl)-α-L-arabinofuranoside [ACD/IUPAC Name]
(3β,5α,6β,15α,24S)-3,5,6,8,15-Pentahydroxycholestan-24-yl-3-O-methyl-2-O-(2-O-methyl-β-D-xylopyranosyl)-α-L-arabinofuranosid [German] [ACD/IUPAC Name]
3-O-Méthyl-2-O-(2-O-méthyl-β-D-xylopyranosyl)-α-L-arabinofuranoside de (3β,5α,6β,15α,24S)-3,5,6,8,15-pentahydroxycholestan-24-yle [French] [ACD/IUPAC Name]
regulusoside C
α-L-Arabinofuranoside, (3β,5α,6β,15α,24S)-3,5,6,8,15-pentahydroxycholestan-24-yl 3-O-methyl-2-O-(2-O-methyl-β-D-xylopyranosyl)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 849.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 140.3±6.0 kJ/mol
Flash Point: 467.3±34.3 °C
Index of Refraction: 1.584
Molar Refractivity: 192.8±0.4 cm3
#H bond acceptors: 14
#H bond donors: 8
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 3.51
ACD/LogD (pH 5.5): 1.85
ACD/BCF (pH 5.5): 15.03
ACD/KOC (pH 5.5): 242.20
ACD/LogD (pH 7.4): 1.85
ACD/BCF (pH 7.4): 15.03
ACD/KOC (pH 7.4): 242.20
Polar Surface Area: 217 Å2
Polarizability: 76.4±0.5 10-24cm3
Surface Tension: 63.1±5.0 dyne/cm
Molar Volume: 576.3±5.0 cm3

Click to predict properties on the Chemicalize site


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