ChemSpider 2D Image | Kaempferol 3-sophorotrioside | C33H40O21

Kaempferol 3-sophorotrioside

  • Molecular FormulaC33H40O21
  • Average mass772.658 Da
  • Monoisotopic mass772.206238 Da
  • ChemSpider ID4445353

  • defined stereocentres - 15 of 15 defined stereocentres

More details:

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

4H-1-Benzopyran-4-one, 3-[[O-β-D-glucopyranosyl-(1->2)-O-β-D-glucopyranosyl-(1->2)-β-D-glucopyranosyl]oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)- [ACD/Index Name]
5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl β-D-glucopyranosyl-(1->2)-β-D-glucopyranosyl-(1->2)-β-D-glucopyranoside [ACD/IUPAC Name]
5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl-β-D-glucopyranosyl-(1->2)-β-D-glucopyranosyl-(1->2)-β-D-glucopyranosid [German] [ACD/IUPAC Name]
80714-53-0 [RN]
kaempferol 3-O-β-D-glucosyl-(1->2)-β-D-glucosyl-(1->;2)-β-D-glucoside
Kaempferol 3-sophorotrioside
β-D-Glucopyranosyl-(1->2)-β-D-glucopyranosyl-(1->2)-β-D-glucopyranoside de 5,7-dihydroxy-2-(4-hydroxyphényl)-4-oxo-4H-chromén-3-yle [French] [ACD/IUPAC Name]
Kaempferol3-O-β-D-glucosyl-(1->2)-β-D-glucosyl-(1->2)-β-D-glucoside
missing

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

C12635 [DBID]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 1144.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 176.9±3.0 kJ/mol
Flash Point: 358.9±27.8 °C
Index of Refraction: 1.759
Molar Refractivity: 171.9±0.4 cm3
#H bond acceptors: 21
#H bond donors: 13
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: -0.47
ACD/LogD (pH 5.5): -2.10
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.58
ACD/LogD (pH 7.4): -3.52
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 345 Å2
Polarizability: 68.1±0.5 10-24cm3
Surface Tension: 130.0±5.0 dyne/cm
Molar Volume: 418.2±5.0 cm3

Click to predict properties on the Chemicalize site


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