ChemSpider 2D Image | Neohesperidin (8CI) | C28H34O15

Neohesperidin (8CI)

  • Molecular FormulaC28H34O15
  • Average mass610.561 Da
  • Monoisotopic mass610.189758 Da
  • ChemSpider ID16498826

  • defined stereocentres - 10 of 11 defined stereocentres

More details:

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

(S)-7-(((2-O-6-Deoxy-a-L-mannopyranosyl)-b-D-glucopyranosyl)oxy)-2,3-dihydro-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one
(S)-7-(((2-O-6-Deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl)oxy)-2,3-dihydro-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one
13241-33-3 [RN]
2-O-(6-Désoxy-α-L-mannopyranosyl)-β-D-glucopyranoside de 5-hydroxy-2-(3-hydroxy-4-méthoxyphényl)-4-oxo-3,4-dihydro-2H-chromén-7-yle
2-O-(6-Désoxy-α-L-mannopyranosyl)-β-D-glucopyranoside de 5-hydroxy-2-(3-hydroxy-4-méthoxyphényl)-4-oxo-3,4-dihydro-2H-chromén-7-yle [French] [ACD/IUPAC Name]
3',5,7-Trihydroxy-4'-methoxyflavanone-7-neohesperidoside
4H-1-Benzopyran-4-one, 7-[[2-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-2,3-dihydro-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)- [ACD/Index Name]
5-18-05-00219 [Beilstein]
5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-3,4-dihydro-2H-chromen-7-yl 2-O-(6-deoxy-a-L-mannopyranosyl)-b-D-glucopyranoside
5-Hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-3,4-dihydro-2H-chromen-7-yl 2-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranoside [ACD/IUPAC Name]
More...

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

BRN 0074945 [DBID]
NSC 31048 [DBID]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 933.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 142.3±3.0 kJ/mol
Flash Point: 306.7±27.8 °C
Index of Refraction: 1.695
Molar Refractivity: 142.0±0.4 cm3
#H bond acceptors: 15
#H bond donors: 8
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 2.44
ACD/LogD (pH 5.5): 0.46
ACD/BCF (pH 5.5): 1.30
ACD/KOC (pH 5.5): 41.78
ACD/LogD (pH 7.4): 0.01
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 14.95
Polar Surface Area: 234 Å2
Polarizability: 56.3±0.5 10-24cm3
Surface Tension: 98.0±5.0 dyne/cm
Molar Volume: 369.3±5.0 cm3

Click to predict properties on the Chemicalize site


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