ChemSpider 2D Image | 6,7,8,11,12,13,25,26,30,30,31,37-Dodecahydroxy-17,21,36,38,39-pentaoxaoctacyclo[18.16.1.1~2,19~.1~27,31~.0~4,9~.0~10,15~.0~23,28~.0~29,34~]nonatriaconta-4,6,8,10,12,14,23,25,27,33-decaene-3,16,22,32,3 5-pentone | C34H24O22

6,7,8,11,12,13,25,26,30,30,31,37-Dodecahydroxy-17,21,36,38,39-pentaoxaoctacyclo[18.16.1.12,19.127,31.04,9.010,15.023,28.029,34]nonatriaconta-4,6,8,10,12,14,23,25,27,33-decaene-3,16,22,32,3 5-pentone

  • Molecular FormulaC34H24O22
  • Average mass784.541 Da
  • Monoisotopic mass784.075928 Da
  • ChemSpider ID35014772

More details:

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

6,7,8,11,12,13,25,26,30,30,31,37-Dodecahydroxy-17,21,36,38,39-pentaoxaoctacyclo[18.16.1.12,19.127,31.04,9.010,15.023,28.029,34]nonatriaconta-4,6,8,10,12,14,23,25,27,33-decaen-3,16,22,32,35 -penton [German] [ACD/IUPAC Name]
6,7,8,11,12,13,25,26,30,30,31,37-Dodecahydroxy-17,21,36,38,39-pentaoxaoctacyclo[18.16.1.12,19.127,31.04,9.010,15.023,28.029,34]nonatriaconta-4,6,8,10,12,14,23,25,27,33-decaene-3,16,22,32,3 5-pentone [ACD/IUPAC Name]
6,7,8,11,12,13,25,26,30,30,31,37-Dodécahydroxy-17,21,36,38,39-pentaoxaoctacyclo[18.16.1.12,19.127,31.04,9.010,15.023,28.029,34]nonatriaconta-4,6,8,10,12,14,23,25,27,33-décaène-3,16,22,32,3 5-pentone [French] [ACD/IUPAC Name]
1,6-(S)-Hexahydroxydiphenoyl-2,4-(S)-dehydrohexahydroxydiphenoyl-b-D-glucopyranose
6,7,8,11,12,13,25,26,30,30,31,37-dodecahydroxy-17,21,36,38,39-pentaoxaoctacyclo[18.16.1.12,19.127,31.04,9.010,15.023,28.029,34]nonatriaconta-4,6,8,10,12,14,23(28),24,26,33-decaene-3,16,22,32,35-pentone
Granatin A

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

Density: 2.3±0.1 g/cm3
Boiling Point: 1424.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 227.5±3.0 kJ/mol
Flash Point: 446.7±27.8 °C
Index of Refraction: 1.948
Molar Refractivity: 167.3±0.4 cm3
#H bond acceptors: 22
#H bond donors: 12
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 3
ACD/LogP: 2.04
ACD/LogD (pH 5.5): 0.39
ACD/BCF (pH 5.5): 1.14
ACD/KOC (pH 5.5): 37.04
ACD/LogD (pH 7.4): -0.86
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.10
Polar Surface Area: 374 Å2
Polarizability: 66.3±0.5 10-24cm3
Surface Tension: 209.3±5.0 dyne/cm
Molar Volume: 346.9±5.0 cm3

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