ChemSpider 2D Image | Secologanoside | C16H22O11

Secologanoside

  • Molecular FormulaC16H22O11
  • Average mass390.339 Da
  • Monoisotopic mass390.116211 Da
  • ChemSpider ID29330281

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(2S,3R,4S)-4-(Carboxymethyl)-2-(β-D-glucopyranosyloxy)-3-vinyl-3,4-dihydro-2H-pyran-5-carbonsäure [German] [ACD/IUPAC Name]
(2S,3R,4S)-4-(Carboxymethyl)-2-(β-D-glucopyranosyloxy)-3-vinyl-3,4-dihydro-2H-pyran-5-carboxylic acid [ACD/IUPAC Name]
2H-Pyran-4-acetic acid, 5-carboxy-3-ethenyl-2-(β-D-glucopyranosyloxy)-3,4-dihydro-, (2S,3R,4S)- [ACD/Index Name]
Acide (2S,3R,4S)-4-(carboxyméthyl)-2-(β-D-glucopyranosyloxy)-3-vinyl-3,4-dihydro-2H-pyrane-5-carboxylique [French] [ACD/IUPAC Name]
Secologanoside
(2S,3R,4S)-4-(carboxymethyl)-3-ethenyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylic acid
(2S,3R,4S)-5-Carboxy-3-ethenyl-2-(β-d-glucopyranosyloxy)-3,4-dihydro-2H-pyran-4-acetic acid
59472-23-0 [RN]
MFCD32201171

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

Density: 1.6±0.1 g/cm3
Boiling Point: 689.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.9 mmHg at 25°C
Enthalpy of Vaporization: 115.6±6.0 kJ/mol
Flash Point: 250.1±25.0 °C
Index of Refraction: 1.620
Molar Refractivity: 86.0±0.4 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: -1.78
ACD/LogD (pH 5.5): -3.83
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.47
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: 84.6±5.0 dyne/cm
Molar Volume: 244.7±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement