Found 15 results

Search term: MF = 'C_{31}H_{42}O_{18}'
ChemSpider 2D Image | Lavaudioside A | C31H42O18

Lavaudioside A

  • Molecular FormulaC31H42O18
  • Average mass702.654 Da
  • Monoisotopic mass702.237122 Da
  • ChemSpider ID35518313

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 14 of 14 defined stereocentres

More details:

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

1-O-{[(1S,4aS,6S,7S,7aS)-6-{[(2E)-3-(3,4-Dihydroxyphenyl)-2-propenoyl]oxy}-1-(β-D-glucopyranosyloxy)-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-yl]carbonyl}-D-mannitol [German] [ACD/IUPAC Name]
1-O-{[(1S,4aS,6S,7S,7aS)-6-{[(2E)-3-(3,4-Dihydroxyphenyl)-2-propenoyl]oxy}-1-(β-D-glucopyranosyloxy)-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-yl]carbonyl}-D-mannitol [ACD/IUPAC Name]
1-O-{[(1S,4aS,6S,7S,7aS)-6-{[(2E)-3-(3,4-Dihydroxyphényl)-2-propenoyl]oxy}-1-(β-D-glucopyranosyloxy)-7-méthyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-yl]carbonyl}-D-mannitol [French] [ACD/IUPAC Name]
D-Mannitol, 1-O-[[(1S,4aS,6S,7S,7aS)-6-[[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-1-(β-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-7-methylcyclopenta[c]pyran-4-yl]carbonyl]- [ACD/Index Name]
Lavaudioside A

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

Density: 1.6±0.1 g/cm3
Boiling Point: 1049.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 160.8±3.0 kJ/mol
Flash Point: 332.2±27.8 °C
Index of Refraction: 1.679
Molar Refractivity: 161.5±0.4 cm3
#H bond acceptors: 18
#H bond donors: 11
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 3
ACD/LogP: -4.05
ACD/LogD (pH 5.5): -3.44
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.45
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 303 Å2
Polarizability: 64.0±0.5 10-24cm3
Surface Tension: 101.0±5.0 dyne/cm
Molar Volume: 427.6±5.0 cm3

Click to predict properties on the Chemicalize site


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