ChemSpider 2D Image | 2-Acetyl-5-methoxyphenyl 6-O-[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-4-O-(3,4,5-trihydroxybenzoyl)-beta-D-glucopyranoside | C27H32O16

2-Acetyl-5-methoxyphenyl 6-O-[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-4-O-(3,4,5-trihydroxybenzoyl)-β-D-glucopyranoside

  • Molecular FormulaC27H32O16
  • Average mass612.533 Da
  • Monoisotopic mass612.169006 Da
  • ChemSpider ID8433688

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

2-Acetyl-5-methoxyphenyl 6-O-[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-4-O-(3,4,5-trihydroxybenzoyl)-β-D-glucopyranoside [ACD/IUPAC Name]
2-Acetyl-5-methoxyphenyl-6-O-[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-4-O-(3,4,5-trihydroxybenzoyl)-β-D-glucopyranosid [German] [ACD/IUPAC Name]
6-O-[(2R,3R,4R)-3,4-Dihydroxy-4-(hydroxyméthyl)tétrahydro-2-furanyl]-4-O-(3,4,5-trihydroxybenzoyl)-β-D-glucopyranoside de 2-acétyl-5-méthoxyphényle [French] [ACD/IUPAC Name]
Ethanone, 1-[4-methoxy-2-[[6-O-[(2R,3R,4R)-tetrahydro-3,4-dihydroxy-4-(hydroxymethyl)-2-furanyl]-4-O-(3,4,5-trihydroxybenzoyl)-β-D-glucopyranosyl]oxy]phenyl]- [ACD/Index Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 952.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 145.2±3.0 kJ/mol
Flash Point: 313.2±27.8 °C
Index of Refraction: 1.686
Molar Refractivity: 139.6±0.4 cm3
#H bond acceptors: 16
#H bond donors: 8
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 1.69
ACD/LogD (pH 5.5): 0.30
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 34.58
ACD/LogD (pH 7.4): 0.13
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 23.15
Polar Surface Area: 251 Å2
Polarizability: 55.3±0.5 10-24cm3
Surface Tension: 100.4±5.0 dyne/cm
Molar Volume: 366.8±5.0 cm3

Click to predict properties on the Chemicalize site


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