ChemSpider 2D Image | isosaponarin | C27H30O15

isosaponarin

  • Molecular FormulaC27H30O15
  • Average mass594.518 Da
  • Monoisotopic mass594.158447 Da
  • ChemSpider ID135811

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(1S)-1,5-Anhydro-1-{2-[4-(β-D-glucopyranosyloxy)phenyl]-5,7-dihydroxy-4-oxo-4H-chromen-6-yl}-D-glucitol [ACD/IUPAC Name]
(1S)-1,5-Anhydro-1-{2-[4-(β-D-glucopyranosyloxy)phenyl]-5,7-dihydroxy-4-oxo-4H-chromen-6-yl}-D-glucitol [German] [ACD/IUPAC Name]
(1S)-1,5-Anhydro-1-{2-[4-(β-D-glucopyranosyloxy)phényl]-5,7-dihydroxy-4-oxo-4H-chromén-6-yl}-D-glucitol [French] [ACD/IUPAC Name]
19416-87-6 [RN]
4H-1-Benzopyran-4-one, 6-β-D-glucopyranosyl-2-(4-(β-D-glucopyranosyloxy)phenyl)-5,7-dihydroxy-
D-Glucitol, 1,5-anhydro-1-C-[2-[4-(β-D-glucopyranosyloxy)phenyl]-5,7-dihydroxy-4-oxo-4H-1-benzopyran-6-yl]-, (1S)- [ACD/Index Name]
isosaponarin
5,7-Dihydroxy-6-((2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)-2-(4-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)phenyl)-4H-chromen-4-one
5,7-dihydroxy-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-2-[4-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one
5,7-dihydroxy-6-[(2S,3S,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)ox an-2-yl]-2-[4-[(2S,3S,4R,5R,6
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.7±0.1 g/cm3
Boiling Point: 970.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 148.2±3.0 kJ/mol
Flash Point: 322.4±27.8 °C
Index of Refraction: 1.729
Molar Refractivity: 137.5±0.3 cm3
#H bond acceptors: 15
#H bond donors: 10
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: -0.83
ACD/LogD (pH 5.5): -1.30
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.99
ACD/LogD (pH 7.4): -3.08
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 256 Å2
Polarizability: 54.5±0.5 10-24cm3
Surface Tension: 103.8±3.0 dyne/cm
Molar Volume: 345.0±3.0 cm3

Click to predict properties on the Chemicalize site


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