ChemSpider 2D Image | MFCD00205541 | C29H32O13

MFCD00205541

  • Molecular FormulaC29H32O13
  • Average mass588.557 Da
  • Monoisotopic mass588.184265 Da
  • ChemSpider ID2010606
  • defined stereocentres - 5 of 5 defined stereocentres


More details:






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

2,3,4,6-Tétra-O-acétyl-β-D-glucopyranoside de 3-hydroxy-4-[2-(4-méthoxyphényl)acétyl]phényle [French] [ACD/IUPAC Name]
3-Hydroxy-4-[(4-methoxyphenyl)acetyl]phenyl 2,3,4,6-tetra-O-acetyl-β-D-glucopyranoside [ACD/IUPAC Name]
3-Hydroxy-4-[(4-methoxyphenyl)acetyl]phenyl-2,3,4,6-tetra-O-acetyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
Ethanone, 1-[2-hydroxy-4-[(2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl)oxy]phenyl]-2-(4-methoxyphenyl)- [ACD/Index Name]
MFCD00205541
3,5-di(acetyloxy)-2-[(acetyloxy)methyl]-6-{3-hydroxy-4-[2-(4-methoxyphenyl)acetyl]phenoxy}tetrahydro-2H-pyran-4-yl acetate
3-HYDROXY-4-((4-METHOXYPHENYL)ACETYL)PHENYL 2,3,4,6-TETRA-O-ACETYLHEXOPYRANOSIDE
3-HYDROXY-4-((4-METHOXYPHENYL)ACETYL)PHENYL-2,3,4,6-TETRA-O-ACETYLHEXOPYRANOSIDE

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

Density: 1.4±0.1 g/cm3
Boiling Point: 688.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 104.5±3.0 kJ/mol
Flash Point: 218.8±25.0 °C
Index of Refraction: 1.572
Molar Refractivity: 142.3±0.4 cm3
#H bond acceptors: 13
#H bond donors: 1
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 4.38
ACD/LogD (pH 5.5): 4.04
ACD/BCF (pH 5.5): 694.60
ACD/KOC (pH 5.5): 3749.28
ACD/LogD (pH 7.4): 3.72
ACD/BCF (pH 7.4): 328.43
ACD/KOC (pH 7.4): 1772.76
Polar Surface Area: 170 Å2
Polarizability: 56.4±0.5 10-24cm3
Surface Tension: 58.9±5.0 dyne/cm
Molar Volume: 432.7±5.0 cm3

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