ChemSpider 2D Image | Gmelinoside L | C32H40O16

Gmelinoside L

  • Molecular FormulaC32H40O16
  • Average mass680.650 Da
  • Monoisotopic mass680.231628 Da
  • ChemSpider ID10269433

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 16 of 16 defined stereocentres

More details:

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

(1aS,1bS,2S,5aR,6S,6aS)-6-({3-O-Acetyl-6-deoxy-4-O-[(2E)-3-phenyl-2-propenoyl]-α-L-mannopyranosyl}oxy)-1a-(hydroxymethyl)-1a,1b,2,5a,6,6a-hexahydrooxireno[4,5]cyclopenta[1,2-c]pyran-2-yl β-D-gl ucopyranoside [ACD/IUPAC Name]
(1aS,1bS,2S,5aR,6S,6aS)-6-({3-O-Acetyl-6-desoxy-4-O-[(2E)-3-phenyl-2-propenoyl]-α-L-mannopyranosyl}oxy)-1a-(hydroxymethyl)-1a,1b,2,5a,6,6a-hexahydrooxireno[4,5]cyclopenta[1,2-c]pyran-2-yl-β-D-g lucopyranosid [German] [ACD/IUPAC Name]
Gmelinoside L
β-D-Glucopyranoside de (1aS,1bS,2S,5aR,6S,6aS)-6-({3-O-acétyl-6-désoxy-4-O-[(2E)-3-phényl-2-propenoyl]-α-L-mannopyranosyl}oxy)-1a-(hydroxyméthyl)-1a,1b,2,5a,6,6a-hexahydrooxiréno[4,5]cyclopenta [1,2-c]pyran-2-yle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, (1aS,1bS,2S,5aR,6S,6aS)-6-[[3-O-acetyl-6-deoxy-4-O-[(2E)-1-oxo-3-phenyl-2-propen-1-yl]-α-L-mannopyranosyl]oxy]-1a,1b,2,5a,6,6a-hexahydro-1a-(hydroxymethyl)oxireno[4,5]cyclo penta[1,2-c]pyran-2-yl [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 857.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 130.6±3.0 kJ/mol
Flash Point: 271.9±27.8 °C
Index of Refraction: 1.647
Molar Refractivity: 159.8±0.4 cm3
#H bond acceptors: 16
#H bond donors: 6
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: -1.41
ACD/LogD (pH 5.5): -1.24
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.07
ACD/LogD (pH 7.4): -1.24
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.07
Polar Surface Area: 233 Å2
Polarizability: 63.4±0.5 10-24cm3
Surface Tension: 79.6±5.0 dyne/cm
Molar Volume: 440.0±5.0 cm3

Click to predict properties on the Chemicalize site


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