ChemSpider 2D Image | (3beta,4beta,5alpha,6alpha,15beta,22E,25S)-3,4,6,8,15-Pentahydroxycholest-22-en-27-yl 2-O-(2,4-di-O-methylpentopyranosyl)pentofuranoside | C39H66O14

(3β,4β,5α,6α,15β,22E,25S)-3,4,6,8,15-Pentahydroxycholest-22-en-27-yl 2-O-(2,4-di-O-methylpentopyranosyl)pentofuranoside

  • Molecular FormulaC39H66O14
  • Average mass758.933 Da
  • Monoisotopic mass758.445251 Da
  • ChemSpider ID29216837

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 13 of 21 defined stereocentres

More details:

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

(3β,4β,5α,6α,15β,22E,25S)-3,4,6,8,15-Pentahydroxycholest-22-en-27-yl 2-O-(2,4-di-O-methylpentopyranosyl)pentofuranoside [ACD/IUPAC Name]
(3β,4β,5α,6α,15β,22E,25S)-3,4,6,8,15-Pentahydroxycholest-22-en-27-yl-2-O-(2,4-di-O-methylpentopyranosyl)pentofuranosid [German] [ACD/IUPAC Name]
2-O-(2,4-Di-O-méthylpentopyranosyl)pentofuranoside de (3β,4β,5α,6α,15β,22E,25S)-3,4,6,8,15-pentahydroxycholest-22-én-27-yle [French] [ACD/IUPAC Name]
Pentofuranoside, (3β,4β,5α,6α,15β,22E,25S)-3,4,6,8,15-pentahydroxycholest-22-en-27-yl 2-O-(2,4-di-O-methylpentopyranosyl)- [ACD/Index Name]
antarcticoside F

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

Density: 1.3±0.1 g/cm3
Boiling Point: 880.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 145.4±6.0 kJ/mol
Flash Point: 486.5±34.3 °C
Index of Refraction: 1.591
Molar Refractivity: 192.6±0.4 cm3
#H bond acceptors: 14
#H bond donors: 8
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 2.58
ACD/LogD (pH 5.5): 1.47
ACD/BCF (pH 5.5): 7.67
ACD/KOC (pH 5.5): 149.60
ACD/LogD (pH 7.4): 1.47
ACD/BCF (pH 7.4): 7.67
ACD/KOC (pH 7.4): 149.60
Polar Surface Area: 217 Å2
Polarizability: 76.4±0.5 10-24cm3
Surface Tension: 64.3±5.0 dyne/cm
Molar Volume: 569.8±5.0 cm3

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