ChemSpider 2D Image | Neodiosmin | C28H32O15

Neodiosmin

  • Molecular FormulaC28H32O15
  • Average mass608.545 Da
  • Monoisotopic mass608.174133 Da
  • ChemSpider ID58540463

  • defined stereocentres - 8 of 10 defined stereocentres

More details:

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

(2ξ)-2-O-(6-Désoxy-α-L-mannopyranosyl)-D-arabino-hexopyranoside de 5-hydroxy-2-(3-hydroxy-4-méthoxyphényl)-4-oxo-4H-chromén-7-yle [French] [ACD/IUPAC Name]
38665-01-9 [RN]
4H-1-Benzopyran-4-one, 7-[[(2ξ)-2-O-(6-deoxy-α-L-mannopyranosyl)-D-arabino-hexopyranosyl]oxy]-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)- [ACD/Index Name]
5-Hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-4H-chromen-7-yl (2ξ)-2-O-(6-deoxy-α-L-mannopyranosyl)-D-arabino-hexopyranoside [ACD/IUPAC Name]
5-Hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-4H-chromen-7-yl-(2ξ)-2-O-(6-desoxy-α-L-mannopyranosyl)-D-arabino-hexopyranosid [German] [ACD/IUPAC Name]
Neodiosmin
MFCD00210583

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

Density: 1.7±0.1 g/cm3
Boiling Point: 930.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 141.8±3.0 kJ/mol
Flash Point: 306.4±27.8 °C
Index of Refraction: 1.712
Molar Refractivity: 141.7±0.4 cm3
#H bond acceptors: 15
#H bond donors: 8
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 2.71
ACD/LogD (pH 5.5): 0.31
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 31.39
ACD/LogD (pH 7.4): -0.93
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.81
Polar Surface Area: 234 Å2
Polarizability: 56.2±0.5 10-24cm3
Surface Tension: 101.3±5.0 dyne/cm
Molar Volume: 361.9±5.0 cm3

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