ChemSpider 2D Image | (3beta,6beta,15alpha,16beta)-6,8,15,16-Tetrahydroxy-28-(pentofuranosyloxy)ergost-4-en-3-yl 2-O-methyl-beta-D-xylopyranoside | C39H66O14

(3β,6β,15α,16β)-6,8,15,16-Tetrahydroxy-28-(pentofuranosyloxy)ergost-4-en-3-yl 2-O-methyl-β-D-xylopyranoside

  • Molecular FormulaC39H66O14
  • Average mass758.933 Da
  • Monoisotopic mass758.445251 Da
  • ChemSpider ID29213353

  • defined stereocentres - 14 of 20 defined stereocentres

More details:

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

(3β,6β,15α,16β)-6,8,15,16-Tetrahydroxy-28-(pentofuranosyloxy)ergost-4-en-3-yl 2-O-methyl-β-D-xylopyranoside [ACD/IUPAC Name]
(3β,6β,15α,16β)-6,8,15,16-Tetrahydroxy-28-(pentofuranosyloxy)ergost-4-en-3-yl-2-O-methyl-β-D-xylopyranosid [German] [ACD/IUPAC Name]
2-O-Méthyl-β-D-xylopyranoside de (3β,6β,15α,16β)-6,8,15,16-tétrahydroxy-28-(pentofuranosyloxy)ergost-4-én-3-yle [French] [ACD/IUPAC Name]
β-D-Xylopyranoside, (3β,6β,15α,16β)-6,8,15,16-tetrahydroxy-28-(pentofuranosyloxy)ergost-4-en-3-yl 2-O-methyl- [ACD/Index Name]
linckoside E

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

Density: 1.4±0.1 g/cm3
Boiling Point: 891.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 147.1±6.0 kJ/mol
Flash Point: 492.8±34.3 °C
Index of Refraction: 1.601
Molar Refractivity: 192.2±0.4 cm3
#H bond acceptors: 14
#H bond donors: 9
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 2.88
ACD/LogD (pH 5.5): 1.78
ACD/BCF (pH 5.5): 13.33
ACD/KOC (pH 5.5): 222.07
ACD/LogD (pH 7.4): 1.78
ACD/BCF (pH 7.4): 13.33
ACD/KOC (pH 7.4): 222.07
Polar Surface Area: 228 Å2
Polarizability: 76.2±0.5 10-24cm3
Surface Tension: 67.3±5.0 dyne/cm
Molar Volume: 561.0±5.0 cm3

Click to predict properties on the Chemicalize site


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