ChemSpider 2D Image | 2',6'-Dihydroxy-4-methoxychalcone-4'-O-neohesperidoside | C28H34O14

2',6'-Dihydroxy-4-methoxychalcone-4'-O-neohesperidoside

  • Molecular FormulaC28H34O14
  • Average mass594.561 Da
  • Monoisotopic mass594.194885 Da
  • ChemSpider ID29273168

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(2E)-1-[4-[[2-O-(6-Deoxy-α-L-mannopyranosyl)-ß-D-glucopyranosyl]oxy]-2,6-dihydroxyphenyl]-3-(4-methoxyphenyl)prop-2-en-1-one [ACD/IUPAC Name]
(E)-1-[4-[[2-O-(6-Deoxy-α-L-mannopyranosyl)-ß-D-glucopyranosyl]oxy]-2,6-dihydroxyphenyl]-3-(4-methoxyphenyl)prop-2-en-1-one [ACD/IUPAC Name]
2',6'-Dihydroxy-4-methoxychalcone-4'-O-neohesperidoside [ACD/IUPAC Name]
23643-72-3 [RN]
2-O-(6-Désoxy-α-L-mannopyranosyl)-β-D-glucopyranoside de 3,5-dihydroxy-4-[(2E)-3-(4-méthoxyphényl)-2-propenoyl]phényle [French] [ACD/IUPAC Name]
2-Propen-1-one, 1-[4-[[2-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-2,6-dihydroxyphenyl]-3-(4-methoxyphenyl)-, (2E)- [ACD/Index Name]
3,5-Dihydroxy-4-[(2E)-3-(4-methoxyphenyl)-2-propenoyl]phenyl 2-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranoside [ACD/IUPAC Name]
3,5-Dihydroxy-4-[(2E)-3-(4-methoxyphenyl)-2-propenoyl]phenyl-2-O-(6-desoxy-α-L-mannopyranosyl)-β-D-glucopyranosid [German] [ACD/IUPAC Name]
73686 [Beilstein]
T6OTJ B1 CQ DQ EQ FO- CT6OTJ BOR CQ EQ DV1U1R DO1&& DQ EQ F1Q &&E,α-L-manno-ß-D-gluco Form [WLN]
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.6±0.1 g/cm3
Boiling Point: 924.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 140.9±3.0 kJ/mol
Flash Point: 303.6±27.8 °C
Index of Refraction: 1.682
Molar Refractivity: 142.2±0.4 cm3
#H bond acceptors: 14
#H bond donors: 8
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 3.71
ACD/LogD (pH 5.5): 1.19
ACD/BCF (pH 5.5): 4.66
ACD/KOC (pH 5.5): 102.37
ACD/LogD (pH 7.4): 0.28
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 12.64
Polar Surface Area: 225 Å2
Polarizability: 56.4±0.5 10-24cm3
Surface Tension: 92.0±5.0 dyne/cm
Molar Volume: 375.4±5.0 cm3

Click to predict properties on the Chemicalize site


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