ChemSpider 2D Image | Xylindein | C32H24O10

Xylindein

  • Molecular FormulaC32H24O10
  • Average mass568.527 Da
  • Monoisotopic mass568.136963 Da
  • ChemSpider ID23078574
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(3S,11S)-8,16-Dihydroxy-3,11-dipropyl-3,4,11,12-tetrahydro-1H,7H-pyrano[4,3-h]pyrano[4',3':5,6]xantheno[2,1,9,8-klmna]xanthen-1,7,9,15-tetron [German] [ACD/IUPAC Name]
(3S,11S)-8,16-Dihydroxy-3,11-dipropyl-3,4,11,12-tetrahydro-1H,7H-pyrano[4,3-h]pyrano[4',3':5,6]xantheno[2,1,9,8-klmna]xanthene-1,7,9,15-tetrone [ACD/IUPAC Name]
(3S,11S)-8,16-dihydroxy-3,11-dipropyl-3,4,11,12-tétrahydro-1H,7H-pyrano[4,3-h]pyrano[4',3':5,6]xanthéno[2,1,9,8-klmna]xanthène-1,7,9,15-tétrone [ACD/IUPAC Name]
(3S,11S)-8,16-Dihydroxy-3,11-dipropyl-3,4,11,12-tétrahydro-1H,7H-pyrano[4,3-h]pyrano[4',3':5,6]xanthéno[2,1,9,8-klmna]xanthène-1,7,9,15-tétrone [French] [ACD/IUPAC Name]
1H,7H-Pyrano[4,3-h]pyrano[4',3':5,6]xantheno[2,1,9,8-klmna]xanthene-1,7,9,15-tetrone, 3,4,11,12-tetrahydro-8,16-dihydroxy-3,11-dipropyl-, (3S,11S)- [ACD/Index Name]
Xylindein [Wiki]

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

Density: 1.7±0.0 g/cm3
Boiling Point: 1023.6±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.0 mmHg at 25°C
Enthalpy of Vaporization: 154.7±0.0 kJ/mol
Flash Point: 342.1±0.0 °C
Index of Refraction:
Molar Refractivity: 141.0±0.0 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: 7.26
ACD/LogD (pH 5.5): 7.22
ACD/BCF (pH 5.5): 177266.52
ACD/KOC (pH 5.5): 193796.27
ACD/LogD (pH 7.4): 5.97
ACD/BCF (pH 7.4): 9902.12
ACD/KOC (pH 7.4): 10825.48
Polar Surface Area: 146 Å2
Polarizability: 55.9±0.0 10-24cm3
Surface Tension: 91.6±0.0 dyne/cm
Molar Volume: 343.9±0.0 cm3

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