ChemSpider 2D Image | punicalin | C34H22O22

punicalin

  • Molecular FormulaC34H22O22
  • Average mass782.525 Da
  • Monoisotopic mass782.060242 Da
  • ChemSpider ID28428695
  • defined stereocentres - 4 of 5 defined stereocentres


More details:






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

(10S,11R,12R,15R)-3,4,5,11,12,13,21,22,23,26,27,38,39-Tridecahydroxy-9,14,17,29,36-pentaoxaoctacyclo[29.8.0.02,7.010,15.019,24.025,34.028,33.032,37]nonatriaconta-1(39),2,4,6,19,21,23,25,27 ,31,33,37-dodecaen-8,18,30,35-tetron [German] [ACD/IUPAC Name]
(10S,11R,12R,15R)-3,4,5,11,12,13,21,22,23,26,27,38,39-Tridecahydroxy-9,14,17,29,36-pentaoxaoctacyclo[29.8.0.02,7.010,15.019,24.025,34.028,33.032,37]nonatriaconta-1(39),2,4,6,19,21,23,25,27 ,31,33,37-dodecaene-8,18,30,35-tetrone [ACD/IUPAC Name]
(10S,11R,12R,15R)-3,4,5,11,12,13,21,22,23,26,27,38,39-Tridécahydroxy-9,14,17,29,36-pentaoxaoctacyclo[29.8.0.02,7.010,15.019,24.025,34.028,33.032,37]nonatriaconta-1(39),2,4,6,19,21,23,25,27 ,31,33,37-dodécaène-8,18,30,35-tétrone [French] [ACD/IUPAC Name]
65995-64-4 [RN]
punicalin [Wiki]
4,6-Gallagyl-D-glucose
MFCD09838018

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 2.1±0.1 g/cm3
Boiling Point: 1559.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 253.9±3.0 kJ/mol
Flash Point: 484.7±27.8 °C
Index of Refraction: 1.872
Molar Refractivity: 171.4±0.3 cm3
#H bond acceptors: 22
#H bond donors: 13
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 3
ACD/LogP: 1.24
ACD/LogD (pH 5.5): -3.67
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.59
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 377 Å2
Polarizability: 67.9±0.5 10-24cm3
Surface Tension: 146.2±3.0 dyne/cm
Molar Volume: 376.5±3.0 cm3

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