ChemSpider 2D Image | (1S)-4,5-Dihydroxy-11-oxatetracyclo[7.7.1.0~1,12~.0~2,7~]heptadeca-2,4,6,12,15-pentaen-14-one | C16H14O4

(1S)-4,5-Dihydroxy-11-oxatetracyclo[7.7.1.01,12.02,7]heptadeca-2,4,6,12,15-pentaen-14-one

  • Molecular FormulaC16H14O4
  • Average mass270.280 Da
  • Monoisotopic mass270.089203 Da
  • ChemSpider ID28650775

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(1S)-4,5-Dihydroxy-11-oxatetracyclo[7.7.1.01,12.02,7]heptadeca-2,4,6,12,15-pentaen-14-on [German] [ACD/IUPAC Name]
(1S)-4,5-Dihydroxy-11-oxatetracyclo[7.7.1.01,12.02,7]heptadeca-2,4,6,12,15-pentaen-14-one [ACD/IUPAC Name]
(1S)-4,5-Dihydroxy-11-oxatétracyclo[7.7.1.01,12.02,7]heptadéca-2,4,6,12,15-pentaén-14-one [French] [ACD/IUPAC Name]
6H-7,12b-Methano-3H-dibenz[b,d]oxocin-3-one, 7,8-dihydro-10,11-dihydroxy-, (12bS)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 542.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 85.1±3.0 kJ/mol
Flash Point: 210.0±23.6 °C
Index of Refraction: 1.714
Molar Refractivity: 71.4±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 1.71
ACD/LogD (pH 5.5): 2.07
ACD/BCF (pH 5.5): 21.95
ACD/KOC (pH 5.5): 317.55
ACD/LogD (pH 7.4): 2.06
ACD/BCF (pH 7.4): 21.74
ACD/KOC (pH 7.4): 314.56
Polar Surface Area: 67 Å2
Polarizability: 28.3±0.5 10-24cm3
Surface Tension: 75.0±5.0 dyne/cm
Molar Volume: 182.1±5.0 cm3

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