ChemSpider 2D Image | 2,4,6-Trichloro-3-methoxy-5-methylphenyl 6-O-beta-D-xylopyranosyl-beta-D-glucopyranoside | C19H25Cl3O11

2,4,6-Trichloro-3-methoxy-5-methylphenyl 6-O-β-D-xylopyranosyl-β-D-glucopyranoside

  • Molecular FormulaC19H25Cl3O11
  • Average mass535.754 Da
  • Monoisotopic mass534.046265 Da
  • ChemSpider ID19983324
  • defined stereocentres - 9 of 9 defined stereocentres


More details:






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

2,4,6-Trichlor-3-methoxy-5-methylphenyl-6-O-β-D-xylopyranosyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
2,4,6-Trichloro-3-methoxy-5-methylphenyl 6-O-β-D-xylopyranosyl-β-D-glucopyranoside [ACD/IUPAC Name]
6-O-β-D-Xylopyranosyl-β-D-glucopyranoside de 2,4,6-trichloro-3-méthoxy-5-méthylphényle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, 2,4,6-trichloro-3-methoxy-5-methylphenyl 6-O-β-D-xylopyranosyl- [ACD/Index Name]
(2S,3R,4S,5S,6R)-2-(2,4,6-TRICHLORO-3-METHOXY-5-METHYLPHENOXY)-6-({[(2S,3R,4S,5R)-3,4,5-TRIHYDROXYOXAN-2-YL]OXY}METHYL)OXANE-3,4,5-TRIOL
143601-11-0 [RN]
Curculigine C

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.7±0.1 g/cm3
Boiling Point: 754.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 115.3±3.0 kJ/mol
Flash Point: 410.0±32.9 °C
Index of Refraction: 1.646
Molar Refractivity: 115.1±0.4 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: 2.40
ACD/LogD (pH 5.5): 1.02
ACD/BCF (pH 5.5): 3.49
ACD/KOC (pH 5.5): 85.17
ACD/LogD (pH 7.4): 1.02
ACD/BCF (pH 7.4): 3.49
ACD/KOC (pH 7.4): 85.17
Polar Surface Area: 168 Å2
Polarizability: 45.6±0.5 10-24cm3
Surface Tension: 83.8±5.0 dyne/cm
Molar Volume: 316.9±5.0 cm3

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