ChemSpider 2D Image | (3beta,6beta,15alpha,16beta,25S)-6,8,15,16,26-Pentahydroxyergosta-4,24(28)-dien-3-yl beta-D-xylopyranoside | C33H54O10

(3β,6β,15α,16β,25S)-6,8,15,16,26-Pentahydroxyergosta-4,24(28)-dien-3-yl β-D-xylopyranoside

  • Molecular FormulaC33H54O10
  • Average mass610.776 Da
  • Monoisotopic mass610.371704 Da
  • ChemSpider ID29213582

  • defined stereocentres - 14 of 16 defined stereocentres

More details:

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

(3β,6β,15α,16β,25S)-6,8,15,16,26-Pentahydroxyergosta-4,24(28)-dien-3-yl β-D-xylopyranoside [ACD/IUPAC Name]
(3β,6β,15α,16β,25S)-6,8,15,16,26-Pentahydroxyergosta-4,24(28)-dien-3-yl-β-D-xylopyranosid [German] [ACD/IUPAC Name]
β-D-Xylopyranoside de (3β,6β,15α,16β,25S)-6,8,15,16,26-pentahydroxyergosta-4,24(28)-dién-3-yle [French] [ACD/IUPAC Name]
β-D-Xylopyranoside, (3β,6β,15α,16β,25S)-6,8,15,16,26-pentahydroxyergosta-4,24(28)-dien-3-yl [ACD/Index Name]
linckoside H

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

Density: 1.3±0.1 g/cm3
Boiling Point: 776.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.1 mmHg at 25°C
Enthalpy of Vaporization: 128.9±6.0 kJ/mol
Flash Point: 423.6±32.9 °C
Index of Refraction: 1.608
Molar Refractivity: 159.4±0.4 cm3
#H bond acceptors: 10
#H bond donors: 8
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 2.37
ACD/LogD (pH 5.5): 1.66
ACD/BCF (pH 5.5): 10.83
ACD/KOC (pH 5.5): 191.52
ACD/LogD (pH 7.4): 1.66
ACD/BCF (pH 7.4): 10.83
ACD/KOC (pH 7.4): 191.52
Polar Surface Area: 180 Å2
Polarizability: 63.2±0.5 10-24cm3
Surface Tension: 65.9±5.0 dyne/cm
Molar Volume: 460.9±5.0 cm3

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