Found 15 results

Search term: MF = 'C_{31}H_{42}O_{18}'
ChemSpider 2D Image | 2-(3,4-Dihydroxyphenyl)ethyl 6-O-{[(2R,3Z,4R)-3-ethylidene-2-(beta-L-glucopyranosyloxy)-5-(methoxycarbonyl)-3,4-dihydro-2H-pyran-4-yl]acetyl}-beta-L-glucopyranoside | C31H42O18

2-(3,4-Dihydroxyphenyl)ethyl 6-O-{[(2R,3Z,4R)-3-ethylidene-2-(β-L-glucopyranosyloxy)-5-(methoxycarbonyl)-3,4-dihydro-2H-pyran-4-yl]acetyl}-β-L-glucopyranoside

  • Molecular FormulaC31H42O18
  • Average mass702.654 Da
  • Monoisotopic mass702.237122 Da
  • ChemSpider ID82965936

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 12 of 12 defined stereocentres

More details:

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

2-(3,4-Dihydroxyphenyl)ethyl 6-O-{[(2R,3Z,4R)-3-ethylidene-2-(β-L-glucopyranosyloxy)-5-(methoxycarbonyl)-3,4-dihydro-2H-pyran-4-yl]acetyl}-β-L-glucopyranoside [ACD/IUPAC Name]
2-(3,4-Dihydroxyphenyl)ethyl-6-O-{[(2R,3Z,4R)-3-ethyliden-2-(β-L-glucopyranosyloxy)-5-(methoxycarbonyl)-3,4-dihydro-2H-pyran-4-yl]acetyl}-β-L-glucopyranosid [German] [ACD/IUPAC Name]
6-O-{2-[(2R,3Z,4R)-3-Éthylidène-2-(β-L-glucopyranosyloxy)-5-(méthoxycarbonyl)-3,4-dihydro-2H-pyran-4-yl]acétyl}-β-L-glucopyranoside de 2-(3,4-dihydroxyphényl)éthyle [French] [ACD/IUPAC Name]
β-L-Glucopyranoside, 2-(3,4-dihydroxyphenyl)ethyl, 6-[2-[(2R,3Z,4R)-3-ethylidene-2-(β-L-glucopyranosyloxy)-3,4-dihydro-5-(methoxycarbonyl)-2H-pyran-4-yl]acetate] [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 926.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 141.1±3.0 kJ/mol
Flash Point: 291.9±27.8 °C
Index of Refraction: 1.649
Molar Refractivity: 161.7±0.4 cm3
#H bond acceptors: 18
#H bond donors: 9
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: -0.91
ACD/LogD (pH 5.5): -1.34
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.43
ACD/LogD (pH 7.4): -1.34
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.41
Polar Surface Area: 281 Å2
Polarizability: 64.1±0.5 10-24cm3
Surface Tension: 88.9±5.0 dyne/cm
Molar Volume: 443.7±5.0 cm3

Click to predict properties on the Chemicalize site


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