ChemSpider 2D Image | Hidrosmin | C30H36O16

Hidrosmin

  • Molecular FormulaC30H36O16
  • Average mass652.597 Da
  • Monoisotopic mass652.200317 Da
  • ChemSpider ID2344126

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

115960-14-0 [RN]
4H-1-Benzopyran-4-one, 7-[[6-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-5-(2-hydroxyethoxy)-2-(3-hydroxy-4-methoxyphenyl)- [ACD/Index Name]
4I5K8199OQ
5-(2-Hydroxyethoxy)-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-4H-chromen-7-yl 6-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranoside [ACD/IUPAC Name]
5-(2-Hydroxyethoxy)-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-4H-chromen-7-yl-6-O-(6-desoxy-α-L-mannopyranosyl)-β-D-glucopyranosid [German] [ACD/IUPAC Name]
6-O-(6-Désoxy-α-L-mannopyranosyl)-β-D-glucopyranoside de 5-(2-hydroxyéthoxy)-2-(3-hydroxy-4-méthoxyphényl)-4-oxo-4H-chromén-7-yle [French] [ACD/IUPAC Name]
Hidrosmin [Wiki]
O-(β-Hydroxyethyl)diosmin
Venosmil
2-(3-hydroxy-4-methoxyphenyl)-5-(2-hydroxyethoxy)-7-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-((((2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)methyl)tetrahydro-2H-pyran-2-yl)oxy)-4H-chromen-4-one
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

F 117 [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: 962.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 146.9±3.0 kJ/mol
Flash Point: 311.1±27.8 °C
Index of Refraction: 1.689
Molar Refractivity: 152.7±0.4 cm3
#H bond acceptors: 16
#H bond donors: 8
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 1.21
ACD/LogD (pH 5.5): -0.44
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 13.73
ACD/LogD (pH 7.4): -0.44
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 13.70
Polar Surface Area: 244 Å2
Polarizability: 60.5±0.5 10-24cm3
Surface Tension: 95.0±5.0 dyne/cm
Molar Volume: 399.9±5.0 cm3

Click to predict properties on the Chemicalize site


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