ChemSpider 2D Image | (3beta,4beta,5alpha,6alpha,15beta,22E,25R)-3,4,6,8,15-Pentahydroxycholest-22-en-27-yl 3-O-methylpentopyranoside | C33H56O10

(3β,4β,5α,6α,15β,22E,25R)-3,4,6,8,15-Pentahydroxycholest-22-en-27-yl 3-O-methylpentopyranoside

  • Molecular FormulaC33H56O10
  • Average mass612.792 Da
  • Monoisotopic mass612.387329 Da
  • ChemSpider ID29216838

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 13 of 17 defined stereocentres

More details:

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

(3β,4β,5α,6α,15β,22E,25R)-3,4,6,8,15-Pentahydroxycholest-22-en-27-yl 3-O-methylpentopyranoside [ACD/IUPAC Name]
(3β,4β,5α,6α,15β,22E,25R)-3,4,6,8,15-Pentahydroxycholest-22-en-27-yl-3-O-methylpentopyranosid [German] [ACD/IUPAC Name]
3-O-Méthylpentopyranoside de (3β,4β,5α,6α,15β,22E,25R)-3,4,6,8,15-pentahydroxycholest-22-én-27-yle [French] [ACD/IUPAC Name]
Pentopyranoside, (3β,4β,5α,6α,15β,22E,25R)-3,4,6,8,15-pentahydroxycholest-22-en-27-yl 3-O-methyl- [ACD/Index Name]
antarcticoside E

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

Density: 1.3±0.1 g/cm3
Boiling Point: 760.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.8 mmHg at 25°C
Enthalpy of Vaporization: 126.4±6.0 kJ/mol
Flash Point: 414.0±32.9 °C
Index of Refraction: 1.589
Molar Refractivity: 160.2±0.4 cm3
#H bond acceptors: 10
#H bond donors: 7
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 2.17
ACD/LogD (pH 5.5): 1.67
ACD/BCF (pH 5.5): 11.02
ACD/KOC (pH 5.5): 193.86
ACD/LogD (pH 7.4): 1.67
ACD/BCF (pH 7.4): 11.02
ACD/KOC (pH 7.4): 193.86
Polar Surface Area: 169 Å2
Polarizability: 63.5±0.5 10-24cm3
Surface Tension: 61.8±5.0 dyne/cm
Molar Volume: 475.3±5.0 cm3

Click to predict properties on the Chemicalize site


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