Found 2 results

Search term: IWJPQQXPWSVXAG (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 2-[3-(3,4-Dihydroxyphenyl)propanoyl]-3-hydroxy-5-methoxyphenyl beta-D-erythro-hexopyranoside | C22H26O11

2-[3-(3,4-Dihydroxyphenyl)propanoyl]-3-hydroxy-5-methoxyphenyl β-D-erythro-hexopyranoside

  • Molecular FormulaC22H26O11
  • Average mass466.435 Da
  • Monoisotopic mass466.147522 Da
  • ChemSpider ID28282664

  • defined stereocentres - 3 of 5 defined stereocentres

More details:

Featured data source
Natural Product Updates

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

1-Propanone, 3-(3,4-dihydroxyphenyl)-1-[2-(β-D-erythro-hexopyranosyloxy)-6-hydroxy-4-methoxyphenyl]- [ACD/Index Name]
2-[3-(3,4-Dihydroxyphenyl)propanoyl]-3-hydroxy-5-methoxyphenyl β-D-erythro-hexopyranoside [ACD/IUPAC Name]
2-[3-(3,4-Dihydroxyphenyl)propanoyl]-3-hydroxy-5-methoxyphenyl-β-D-erythro-hexopyranosid [German] [ACD/IUPAC Name]
β-D-érythro-Hexopyranoside de 2-[3-(3,4-dihydroxyphényl)propanoyl]-3-hydroxy-5-méthoxyphényle [French] [ACD/IUPAC Name]
3-hydroxyasebotin

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

Density: 1.5±0.1 g/cm3
Boiling Point: 821.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 125.2±3.0 kJ/mol
Flash Point: 284.9±27.8 °C
Index of Refraction: 1.668
Molar Refractivity: 113.4±0.3 cm3
#H bond acceptors: 11
#H bond donors: 7
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 0.32
ACD/LogD (pH 5.5): 0.41
ACD/BCF (pH 5.5): 1.20
ACD/KOC (pH 5.5): 39.26
ACD/LogD (pH 7.4): -0.15
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 10.85
Polar Surface Area: 186 Å2
Polarizability: 45.0±0.5 10-24cm3
Surface Tension: 74.9±3.0 dyne/cm
Molar Volume: 304.5±3.0 cm3

Click to predict properties on the Chemicalize site


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