ChemSpider 2D Image | Naringin dihydrochalcone | C27H34O14

Naringin dihydrochalcone

  • Molecular FormulaC27H34O14
  • Average mass582.550 Da
  • Monoisotopic mass582.194885 Da
  • ChemSpider ID8070254

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

1-(4-{[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-2,6-dihydroxyphenyl)-3-(4-hydroxyphenyl)propan-1-one
1-Propanone, 1-[4-[[2-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-2,6-dihydroxyphenyl]-3-(4-hydroxyphenyl)- [ACD/Index Name]
2-O-(6-Désoxy-α-L-mannopyranosyl)-β-D-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-D-glucopyranoside [ACD/IUPAC Name]
3,5-Dihydroxy-4-[3-(4-hydroxyphenyl)propanoyl]phenyl-2-O-(6-desoxy-α-L-mannopyranosyl)-β-D-glucopyranosid [German] [ACD/IUPAC Name]
MFCD08436145 [MDL number]
Naringin dihydrochalcone [Wiki]
[18916-17-1] [RN]
1-[4-[(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-2,6-dihydroxyphenyl]-3-(4-hydroxyphenyl)propan-1-one
1-[4-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-oxan-2-yl]oxy-oxan-2-yl]oxy-2,6-dihydroxy-phenyl]-3-(4-hydroxyphenyl)propan-1-one
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

7233QDO0QW [DBID]
UNII:7233QDO0QW [DBID]
UNII-7233QDO0QW [DBID]

    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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