ChemSpider 2D Image | 9-(1,3-Dihydroxy-3-methylbutyl)-3a,4,6-trihydroxy-3a,12a-dihydro-5H-furo[3',2':4,5]furo[3,2-b]xanthen-5-one | C22H20O9

9-(1,3-Dihydroxy-3-methylbutyl)-3a,4,6-trihydroxy-3a,12a-dihydro-5H-furo[3',2':4,5]furo[3,2-b]xanthen-5-one

  • Molecular FormulaC22H20O9
  • Average mass428.389 Da
  • Monoisotopic mass428.110718 Da
  • ChemSpider ID22369872

More details:

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

5H-Furo[3',2':4,5]furo[3,2-b]xanthen-5-one, 9-(1,3-dihydroxy-3-methylbutyl)-3a,12a-dihydro-3a,4,6-trihydroxy- [ACD/Index Name]
9-(1,3-Dihydroxy-3-methylbutyl)-3a,4,6-trihydroxy-3a,12a-dihydro-5H-furo[3',2':4,5]furo[3,2-b]xanthen-5-on [German] [ACD/IUPAC Name]
9-(1,3-Dihydroxy-3-methylbutyl)-3a,4,6-trihydroxy-3a,12a-dihydro-5H-furo[3',2':4,5]furo[3,2-b]xanthen-5-one [ACD/IUPAC Name]
9-(1,3-Dihydroxy-3-méthylbutyl)-3a,4,6-trihydroxy-3a,12a-dihydro-5H-furo[3',2':4,5]furo[3,2-b]xanthén-5-one [French] [ACD/IUPAC Name]
1137063-77-4 [RN]
15-(1,3-Dihydroxy-3-methylbutyl)-2,4,18-trihydroxy-7,9,13-trioxapentacyclo[10.8.0.03,10.04,8.014,19]icosa-1,3(10),5,11,14,16,18-heptaen-20-one
Compound NP-008548

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

Density: 1.7±0.1 g/cm3
Boiling Point: 743.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 113.8±3.0 kJ/mol
Flash Point: 265.0±26.4 °C
Index of Refraction: 1.744
Molar Refractivity: 104.9±0.3 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: -0.44
ACD/LogD (pH 5.5): 0.72
ACD/BCF (pH 5.5): 1.96
ACD/KOC (pH 5.5): 52.48
ACD/LogD (pH 7.4): -0.85
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.40
Polar Surface Area: 146 Å2
Polarizability: 41.6±0.5 10-24cm3
Surface Tension: 93.0±3.0 dyne/cm
Molar Volume: 259.1±3.0 cm3

Click to predict properties on the Chemicalize site


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