ChemSpider 2D Image | 1,7-Bis(4-hydroxyphenyl)-3-heptanyl 6-O-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-beta-D-glucopyranoside | C30H42O12

1,7-Bis(4-hydroxyphenyl)-3-heptanyl 6-O-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-β-D-glucopyranoside

  • Molecular FormulaC30H42O12
  • Average mass594.647 Da
  • Monoisotopic mass594.267639 Da
  • ChemSpider ID23550819

  • defined stereocentres - 8 of 9 defined stereocentres

More details:

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

1,7-Bis(4-hydroxyphenyl)-3-heptanyl 6-O-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-β-D-glucopyranoside [ACD/IUPAC Name]
1,7-Bis(4-hydroxyphenyl)-3-heptanyl-6-O-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-β-D-glucopyranosid [German] [ACD/IUPAC Name]
6-O-[(2S,3R,4R)-3,4-Dihydroxy-4-(hydroxyméthyl)tétrahydro-2-furanyl]-β-D-glucopyranoside de 1,7-bis(4-hydroxyphényl)-3-heptanyle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, 5-(4-hydroxyphenyl)-1-[2-(4-hydroxyphenyl)ethyl]pentyl 6-O-[(2S,3R,4R)-tetrahydro-3,4-dihydroxy-4-(hydroxymethyl)-2-furanyl]- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 880.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 134.1±3.0 kJ/mol
Flash Point: 486.5±34.3 °C
Index of Refraction: 1.648
Molar Refractivity: 149.8±0.4 cm3
#H bond acceptors: 12
#H bond donors: 8
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: 3.56
ACD/LogD (pH 5.5): 1.69
ACD/BCF (pH 5.5): 11.27
ACD/KOC (pH 5.5): 197.06
ACD/LogD (pH 7.4): 1.68
ACD/BCF (pH 7.4): 11.23
ACD/KOC (pH 7.4): 196.30
Polar Surface Area: 199 Å2
Polarizability: 59.4±0.5 10-24cm3
Surface Tension: 80.7±5.0 dyne/cm
Molar Volume: 411.6±5.0 cm3

Click to predict properties on the Chemicalize site


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