ChemSpider 2D Image | Pectolinarin | C30H36O14

Pectolinarin

  • Molecular FormulaC30H36O14
  • Average mass620.598 Da
  • Monoisotopic mass620.210510 Da
  • ChemSpider ID48245005

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

[(1R,2R,3S,4R,5R)-2,3,4-Trihydroxy-5-{[5-hydroxy-6-methoxy-2-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}cyclohexyl]methyl 6-deoxy-α-L-mannopyranoside [ACD/IUPAC Name]
[(1R,2R,3S,4R,5R)-2,3,4-Trihydroxy-5-{[5-hydroxy-6-methoxy-2-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}cyclohexyl]methyl-6-desoxy-α-L-mannopyranosid [German] [ACD/IUPAC Name]
28978-02-1 [RN]
4H-1-Benzopyran-4-one, 7-[[(1R,2R,3S,4R,5R)-5-[[(6-deoxy-α-L-mannopyranosyl)oxy]methyl]-2,3,4-trihydroxycyclohexyl]oxy]-5-hydroxy-6-methoxy-2-(4-methoxyphenyl)- [ACD/Index Name]
6-Désoxy-α-L-mannopyranoside de [(1R,2R,3S,4R,5R)-2,3,4-trihydroxy-5-{[5-hydroxy-6-méthoxy-2-(4-méthoxyphényl)-4-oxo-4H-chromén-7-yl]oxy}cyclohexyl]méthyle [French] [ACD/IUPAC Name]
7-[[6-O-(6-Deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-5-hydroxy-6-methoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one
Pectolinarin [Wiki]
Pectolinaroside
5,7-Dihydroxy 4',6-dimethoxyflavone 7-rutinoside
MFCD12546128
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.6±0.1 g/cm3
Boiling Point: 848.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 129.2±3.0 kJ/mol
Flash Point: 274.6±27.8 °C
Index of Refraction: 1.677
Molar Refractivity: 149.4±0.4 cm3
#H bond acceptors: 14
#H bond donors: 7
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 1.01
ACD/LogD (pH 5.5): 0.43
ACD/BCF (pH 5.5): 1.20
ACD/KOC (pH 5.5): 37.72
ACD/LogD (pH 7.4): -0.70
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.80
Polar Surface Area: 214 Å2
Polarizability: 59.2±0.5 10-24cm3
Surface Tension: 86.8±5.0 dyne/cm
Molar Volume: 396.8±5.0 cm3

Click to predict properties on the Chemicalize site


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