ChemSpider 2D Image | Complanatuside | C28H32O16

Complanatuside

  • Molecular FormulaC28H32O16
  • Average mass624.544 Da
  • Monoisotopic mass624.169006 Da
  • ChemSpider ID20130278
  • defined stereocentres - 10 of 10 defined stereocentres


More details:






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

116183-66-5 [RN]
4-[3-(β-D-Glucopyranosyloxy)-5-hydroxy-7-methoxy-4-oxo-4H-chromen-2-yl]phenyl β-D-glucopyranoside [ACD/IUPAC Name]
4-[3-(β-D-Glucopyranosyloxy)-5-hydroxy-7-methoxy-4-oxo-4H-chromen-2-yl]phenyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 3-(β-D-glucopyranosyloxy)-2-(4-(β-D-glucopyranosyloxy)phenyl)-5-hydroxy-7-methoxy-
4H-1-Benzopyran-4-one, 3-(β-D-glucopyranosyloxy)-2-[4-(β-D-glucopyranosyloxy)phenyl]-5-hydroxy-7-methoxy- [ACD/Index Name]
Complanatuside
β-D-Glucopyranoside de 4-[3-(β-D-glucopyranosyloxy)-5-hydroxy-7-méthoxy-4-oxo-4H-chromén-2-yl]phényle [French] [ACD/IUPAC Name]
[146501-37-3]
146501-37-3 [RN]
5-hydroxy-7-methoxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.7±0.1 g/cm3
Boiling Point: 975.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 148.8±3.0 kJ/mol
Flash Point: 320.2±27.8 °C
Index of Refraction: 1.727
Molar Refractivity: 143.0±0.4 cm3
#H bond acceptors: 16
#H bond donors: 9
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -0.13
ACD/LogD (pH 5.5): -0.92
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.68
ACD/LogD (pH 7.4): -2.19
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 255 Å2
Polarizability: 56.7±0.5 10-24cm3
Surface Tension: 109.7±5.0 dyne/cm
Molar Volume: 359.4±5.0 cm3

Click to predict properties on the Chemicalize site






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