ChemSpider 2D Image | Spinatoside | C23H22O14

Spinatoside

  • Molecular FormulaC23H22O14
  • Average mass522.412 Da
  • Monoisotopic mass522.100952 Da
  • ChemSpider ID10306188

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

4-(5,7-Dihydroxy-3,6-dimethoxy-4-oxo-4H-chromen-2-yl)-2-hydroxyphenyl β-D-glucopyranosiduronic acid [ACD/IUPAC Name]
4-(5,7-Dihydroxy-3,6-dimethoxy-4-oxo-4H-chromen-2-yl)-2-hydroxyphenyl-β-D-glucopyranosiduronsäure [German] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 2-[4-(β-D-glucopyranuronosyloxy)-3-hydroxyphenyl]-5,7-dihydroxy-3,6-dimethoxy- [ACD/Index Name]
65039-74-9 [RN]
Acide β-D-glucopyranosiduronique de 4-(5,7-dihydroxy-3,6-diméthoxy-4-oxo-4H-chromén-2-yl)-2-hydroxyphényle [French] [ACD/IUPAC Name]
Spinatoside
(2S,3S,4S,5R,6S)-6-[4-(5,7-dihydroxy-3,6-dimethoxy-4-oxo-4H-chromen-2-yl)-2-hydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
(2S,3S,4S,5R,6S)-6-[4-(5,7-dihydroxy-3,6-dimethoxy-4-oxochromen-2-yl)-2-hydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Axillarin 4'-glucuronide

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

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

Density: 1.8±0.0 g/cm3
Boiling Point: 919.5±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.0 mmHg at 25°C
Enthalpy of Vaporization: 140.1±0.0 kJ/mol
Flash Point: 316.1±0.0 °C
Index of Refraction: 1.742
Molar Refractivity: 117.3±0.0 cm3
#H bond acceptors: 14
#H bond donors: 7
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: -1.20
ACD/LogD (pH 5.5): -4.15
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.94
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 222 Å2
Polarizability: 46.5±0.0 10-24cm3
Surface Tension: 114.4±0.0 dyne/cm
Molar Volume: 290.4±0.0 cm3

Click to predict properties on the Chemicalize site


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