Found 15 results

Search term: MF = 'C_{31}H_{42}O_{18}'
ChemSpider 2D Image | Methyl (2S,3E,4S)-3-ethylidene-2-(beta-D-glucopyranosyloxy)-4-(2-{2-[3-(beta-D-glucopyranosyloxy)-4-hydroxyphenyl]ethoxy}-2-oxoethyl)-3,4-dihydro-2H-pyran-5-carboxylate | C31H42O18

Methyl (2S,3E,4S)-3-ethylidene-2-(β-D-glucopyranosyloxy)-4-(2-{2-[3-(β-D-glucopyranosyloxy)-4-hydroxyphenyl]ethoxy}-2-oxoethyl)-3,4-dihydro-2H-pyran-5-carboxylate

  • Molecular FormulaC31H42O18
  • Average mass702.654 Da
  • Monoisotopic mass702.237122 Da
  • ChemSpider ID8851564

  • 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

(2S,3E,4S)-3-Éthylidène-2-(β-D-glucopyranosyloxy)-4-(2-{2-[3-(β-D-glucopyranosyloxy)-4-hydroxyphényl]éthoxy}-2-oxoéthyl)-3,4-dihydro-2H-pyrane-5-carboxylate de méthyle [French] [ACD/IUPAC Name]
2H-Pyran-4-acetic acid, 3-ethylidene-2-(β-D-glucopyranosyloxy)-3,4-dihydro-5-(methoxycarbonyl)-, 2-[3-(β-D-glucopyranosyloxy)-4-hydroxyphenyl]ethyl ester, (2S,3E,4S)- [ACD/Index Name]
Methyl (2S,3E,4S)-3-ethylidene-2-(β-D-glucopyranosyloxy)-4-(2-{2-[3-(β-D-glucopyranosyloxy)-4-hydroxyphenyl]ethoxy}-2-oxoethyl)-3,4-dihydro-2H-pyran-5-carboxylate [ACD/IUPAC Name]
Methyl-(2S,3E,4S)-3-ethyliden-2-(β-D-glucopyranosyloxy)-4-(2-{2-[3-(β-D-glucopyranosyloxy)-4-hydroxyphenyl]ethoxy}-2-oxoethyl)-3,4-dihydro-2H-pyran-5-carboxylat [German] [ACD/IUPAC 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: 935.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 142.6±3.0 kJ/mol
Flash Point: 295.1±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: -3.41
ACD/LogD (pH 5.5): -2.79
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.79
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
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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