ChemSpider 2D Image | 3,7-BIS(2-HYDROXYETHYL)ICARITIN | C25H28O8

3,7-BIS(2-HYDROXYETHYL)ICARITIN

  • Molecular FormulaC25H28O8
  • Average mass456.485 Da
  • Monoisotopic mass456.178406 Da
  • ChemSpider ID24709494

More details:

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

1067198-74-6 [RN]
3,7-BIS(2-HYDROXYETHYL)ICARITIN
4H-1-Benzopyran-4-one, 5-hydroxy-3,7-bis(2-hydroxyethoxy)-2-(4-methoxyphenyl)-8-(3-methyl-2-buten-1-yl)- [ACD/Index Name]
5-Hydroxy-3,7-bis(2-hydroxyethoxy)-2-(4-methoxyphenyl)-8-(3-methyl-2-buten-1-yl)-4H-chromen-4-on [German] [ACD/IUPAC Name]
5-Hydroxy-3,7-bis(2-hydroxyethoxy)-2-(4-methoxyphenyl)-8-(3-methyl-2-buten-1-yl)-4H-chromen-4-one [ACD/IUPAC Name]
5-Hydroxy-3,7-bis(2-hydroxyéthoxy)-2-(4-méthoxyphényl)-8-(3-méthyl-2-butén-1-yl)-4H-chromén-4-one [French] [ACD/IUPAC Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL498486/

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

5U58D99D1L [DBID]
UNII:5U58D99D1L [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 710.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 109.1±3.0 kJ/mol
Flash Point: 241.5±26.4 °C
Index of Refraction: 1.626
Molar Refractivity: 120.4±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 3.48
ACD/LogD (pH 5.5): 3.23
ACD/BCF (pH 5.5): 160.78
ACD/KOC (pH 5.5): 1242.77
ACD/LogD (pH 7.4): 2.03
ACD/BCF (pH 7.4): 10.10
ACD/KOC (pH 7.4): 78.04
Polar Surface Area: 115 Å2
Polarizability: 47.7±0.5 10-24cm3
Surface Tension: 63.8±5.0 dyne/cm
Molar Volume: 340.2±5.0 cm3

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