ChemSpider 2D Image | 4-[(2S)-7-{[2-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy}-5-hydroxy-4-oxo-3,4-dihydro-2H-chromen-2-yl]phenyl beta-D-glucopyranoside | C33H42O19

4-[(2S)-7-{[2-O-(6-Deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy}-5-hydroxy-4-oxo-3,4-dihydro-2H-chromen-2-yl]phenyl β-D-glucopyranoside

  • Molecular FormulaC33H42O19
  • Average mass742.675 Da
  • Monoisotopic mass742.232056 Da
  • ChemSpider ID82951769

  • defined stereocentres - 16 of 16 defined stereocentres

More details:

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

17257-21-5 [RN]
4-[(2S)-7-{[2-O-(6-Deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy}-5-hydroxy-4-oxo-3,4-dihydro-2H-chromen-2-yl]phenyl β-D-glucopyranoside [ACD/IUPAC Name]
4-[(2S)-7-{[2-O-(6-Desoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy}-5-hydroxy-4-oxo-3,4-dihydro-2H-chromen-2-yl]phenyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 7-[[2-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-2-[4-(β-D-glucopyranosyloxy)phenyl]-2,3-dihydro-5-hydroxy-, (2S)- [ACD/Index Name]
β-D-Glucopyranoside de 4-[(2S)-7-{[2-O-(6-désoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy}-5-hydroxy-4-oxo-3,4-dihydro-2H-chromén-2-yl]phényle [French] [ACD/IUPAC Name]
(2S)-7-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-2,3-dihydrochromen-4-one
CID 101936129
Naringin 4'-glucoside

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

Density: 1.7±0.1 g/cm3
Boiling Point: 1076.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 165.3±3.0 kJ/mol
Flash Point: 338.7±27.8 °C
Index of Refraction: 1.714
Molar Refractivity: 169.4±0.4 cm3
#H bond acceptors: 19
#H bond donors: 11
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 0.58
ACD/LogD (pH 5.5): -1.03
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.48
ACD/LogD (pH 7.4): -1.46
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.39
Polar Surface Area: 304 Å2
Polarizability: 67.1±0.5 10-24cm3
Surface Tension: 109.5±5.0 dyne/cm
Molar Volume: 431.5±5.0 cm3

Click to predict properties on the Chemicalize site


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