ChemSpider 2D Image | 9-Hydroxy-6-methoxy-7-oxo-1,2,3a,12c-tetrahydro-7H-furo[3',2':4,5]furo[2,3-c]xanthen-8-yl hexopyranosiduronic acid | C24H22O13

9-Hydroxy-6-methoxy-7-oxo-1,2,3a,12c-tetrahydro-7H-furo[3',2':4,5]furo[2,3-c]xanthen-8-yl hexopyranosiduronic acid

  • Molecular FormulaC24H22O13
  • Average mass518.424 Da
  • Monoisotopic mass518.106018 Da
  • ChemSpider ID74886685

More details:

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

7H-Furo[3',2':4,5]furo[2,3-c]xanthen-7-one, 8-(hexopyranuronosyloxy)-1,2,3a,12c-tetrahydro-9-hydroxy-6-methoxy- [ACD/Index Name]
9-Hydroxy-6-methoxy-7-oxo-1,2,3a,12c-tetrahydro-7H-furo[3',2':4,5]furo[2,3-c]xanthen-8-yl hexopyranosiduronic acid [ACD/IUPAC Name]
9-Hydroxy-6-methoxy-7-oxo-1,2,3a,12c-tetrahydro-7H-furo[3',2':4,5]furo[2,3-c]xanthen-8-ylhexopyranosiduronsäure [German] [ACD/IUPAC Name]
Acide hexopyranosiduronique de 9-hydroxy-6-méthoxy-7-oxo-1,2,3a,12c-tétrahydro-7H-furo[3',2':4,5]furo[2,3-c]xanthén-8-yle [French] [ACD/IUPAC Name]
3,4,5-trihydroxy-6-({16-hydroxy-11-methoxy-13-oxo-6,8,20-trioxapentacyclo[10.8.0.02,9.03,7.014,19]icosa-1(12),2(9),10,14(19),15,17-hexaen-15-yl}oxy)oxane-2-carboxylic acid

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

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

Density: 1.7±0.1 g/cm3
Boiling Point: 872.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 132.9±3.0 kJ/mol
Flash Point: 302.0±27.8 °C
Index of Refraction: 1.707
Molar Refractivity: 117.7±0.3 cm3
#H bond acceptors: 13
#H bond donors: 5
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 3
ACD/LogP: -1.72
ACD/LogD (pH 5.5): -3.99
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.88
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 191 Å2
Polarizability: 46.7±0.5 10-24cm3
Surface Tension: 90.1±3.0 dyne/cm
Molar Volume: 302.2±3.0 cm3

Click to predict properties on the Chemicalize site


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