ChemSpider 2D Image | Oleoside | C16H22O11

Oleoside

  • Molecular FormulaC16H22O11
  • Average mass390.339 Da
  • Monoisotopic mass390.116211 Da
  • ChemSpider ID28425493

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(2S,3E,4S)-4-(Carboxymethyl)-3-ethyliden-2-(β-D-glucopyranosyloxy)-3,4-dihydro-2H-pyran-5-carbonsäure [German] [ACD/IUPAC Name]
(2S,3E,4S)-4-(Carboxymethyl)-3-ethylidene-2-(β-D-glucopyranosyloxy)-3,4-dihydro-2H-pyran-5-carboxylic acid [ACD/IUPAC Name]
178600-68-5 [RN]
2H-Pyran-4-acetic acid, 5-carboxy-3-ethylidene-2-(β-D-glucopyranosyloxy)-3,4-dihydro-, (2S,3E,4S)- [ACD/Index Name]
Acide (2S,3E,4S)-4-(carboxyméthyl)-3-éthylidène-2-(β-D-glucopyranosyloxy)-3,4-dihydro-2H-pyrane-5-carboxylique [French] [ACD/IUPAC Name]
Oleoside
(2S,3E,4S)-5-Carboxy-3-ethylidene-2-(ß-d-glucopyranosyloxy)-3,4-dihydro-2H-pyran-4-acetic acid
(4S,5E,6S)-4-(carboxymethyl)-5-ethylidene-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylic acid
2H-Pyran-4-acetic acid, 5-carboxy-3-ethylidene-2-(β-D-glucopyranosyloxy)-3,4-dihydro-, (2S,3E,4S)-

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

Density: 1.6±0.1 g/cm3
Boiling Point: 707.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.1 mmHg at 25°C
Enthalpy of Vaporization: 118.3±6.0 kJ/mol
Flash Point: 256.8±26.4 °C
Index of Refraction: 1.628
Molar Refractivity: 85.9±0.4 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: -1.92
ACD/LogD (pH 5.5): -4.12
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.64
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 183 Å2
Polarizability: 34.1±0.5 10-24cm3
Surface Tension: 86.9±5.0 dyne/cm
Molar Volume: 242.0±5.0 cm3

Click to predict properties on the Chemicalize site


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