ChemSpider 2D Image | Naringin dihydrochalcone | C27H34O14

Naringin dihydrochalcone

  • Molecular FormulaC27H34O14
  • Average mass582.550 Da
  • Monoisotopic mass582.194885 Da
  • ChemSpider ID23089598

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

18916-17-1 [RN]
1-Propanone, 1-[4-[[2-O-(6-deoxy-α-L-mannopyranosyl)-β-L-glucopyranosyl]oxy]-2,6-dihydroxyphenyl]-3-(4-hydroxyphenyl)- [ACD/Index Name]
2-O-(6-Désoxy-α-L-mannopyranosyl)-β-L-glucopyranoside de 3,5-dihydroxy-4-[3-(4-hydroxyphényl)propanoyl]phényle [French] [ACD/IUPAC Name]
3,5-Dihydroxy-4-[3-(4-hydroxyphenyl)propanoyl]phenyl 2-O-(6-deoxy-α-L-mannopyranosyl)-β-L-glucopyranoside [ACD/IUPAC Name]
3,5-Dihydroxy-4-[3-(4-hydroxyphenyl)propanoyl]phenyl-2-O-(6-desoxy-α-L-mannopyranosyl)-β-L-glucopyranosid [German] [ACD/IUPAC Name]
Naringin dihydrochalcone [Wiki]
1-[4-[[2-O-(6-Deoxy-L-mannopyranosyl)-D-glucopyranosyl]oxy]-2,6-dihydroxyphenyl]-3-(4-hydroxyphenyl)-1-propanone
1-[4-[[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyl-2-oxanyl)oxy]-2-oxanyl]oxy]-2,6-dihydroxyphenyl]-3-(4-hydroxyphenyl)-1-propanone
MFCD08436145 [MDL number]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 916.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 139.7±3.0 kJ/mol
Flash Point: 302.7±27.8 °C
Index of Refraction: 1.696
Molar Refractivity: 137.5±0.4 cm3
#H bond acceptors: 14
#H bond donors: 9
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 3.38
ACD/LogD (pH 5.5): 0.81
ACD/BCF (pH 5.5): 2.41
ACD/KOC (pH 5.5): 64.86
ACD/LogD (pH 7.4): 0.32
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 21.14
Polar Surface Area: 236 Å2
Polarizability: 54.5±0.5 10-24cm3
Surface Tension: 100.6±5.0 dyne/cm
Molar Volume: 357.3±5.0 cm3

Click to predict properties on the Chemicalize site


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