ChemSpider 2D Image | (3beta,4beta,5alpha,6beta,15alpha,16beta,25R)-4,6,8,15,16,26-Hexahydroxyergost-24(28)-en-3-yl 2-O-methyl-beta-D-xylopyranoside | C34H58O11

(3β,4β,5α,6β,15α,16β,25R)-4,6,8,15,16,26-Hexahydroxyergost-24(28)-en-3-yl 2-O-methyl-β-D-xylopyranoside

  • Molecular FormulaC34H58O11
  • Average mass642.818 Da
  • Monoisotopic mass642.397888 Da
  • ChemSpider ID29215835

  • defined stereocentres - 18 of 18 defined stereocentres

More details:

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

(3β,4β,5α,6β,15α,16β,25R)-4,6,8,15,16,26-Hexahydroxyergost-24(28)-en-3-yl 2-O-methyl-β-D-xylopyranoside [ACD/IUPAC Name]
(3β,4β,5α,6β,15α,16β,25R)-4,6,8,15,16,26-Hexahydroxyergost-24(28)-en-3-yl-2-O-methyl-β-D-xylopyranosid [German] [ACD/IUPAC Name]
2-O-Méthyl-β-D-xylopyranoside de (3β,4β,5α,6β,15α,16β,25R)-4,6,8,15,16,26-hexahydroxyergost-24(28)-én-3-yle [French] [ACD/IUPAC Name]
β-D-Xylopyranoside, (3β,4β,5α,6β,15α,16β,25R)-4,6,8,15,16,26-hexahydroxyergost-24(28)-en-3-yl 2-O-methyl- [ACD/Index Name]
thromidioside

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

Density: 1.3±0.1 g/cm3
Boiling Point: 785.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.2 mmHg at 25°C
Enthalpy of Vaporization: 130.2±6.0 kJ/mol
Flash Point: 428.8±32.9 °C
Index of Refraction: 1.591
Molar Refractivity: 166.0±0.4 cm3
#H bond acceptors: 11
#H bond donors: 8
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 1.98
ACD/LogD (pH 5.5): 1.34
ACD/BCF (pH 5.5): 6.14
ACD/KOC (pH 5.5): 127.56
ACD/LogD (pH 7.4): 1.34
ACD/BCF (pH 7.4): 6.14
ACD/KOC (pH 7.4): 127.56
Polar Surface Area: 190 Å2
Polarizability: 65.8±0.5 10-24cm3
Surface Tension: 63.5±5.0 dyne/cm
Molar Volume: 490.9±5.0 cm3

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