Found 1 result

Search term: 35517007 (Found by CSID)
ChemSpider 2D Image | (1S,10R,12S,13S,14R)-4,12,13,14-Tetrahydroxy-6-methoxy-12-methyl-15-oxatetracyclo[8.4.1.0~1,10~.0~3,8~]pentadeca-3,5,7-triene-2,9-dione | C16H16O8

(1S,10R,12S,13S,14R)-4,12,13,14-Tetrahydroxy-6-methoxy-12-methyl-15-oxatetracyclo[8.4.1.01,10.03,8]pentadeca-3,5,7-triene-2,9-dione

  • Molecular FormulaC16H16O8
  • Average mass336.293 Da
  • Monoisotopic mass336.084503 Da
  • ChemSpider ID35517007

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(1S,10R,12S,13S,14R)-4,12,13,14-Tetrahydroxy-6-methoxy-12-methyl-15-oxatetracyclo[8.4.1.01,10.03,8]pentadeca-3,5,7-trien-2,9-dion [German] [ACD/IUPAC Name]
(1S,10R,12S,13S,14R)-4,12,13,14-Tetrahydroxy-6-methoxy-12-methyl-15-oxatetracyclo[8.4.1.01,10.03,8]pentadeca-3,5,7-triene-2,9-dione [ACD/IUPAC Name]
(1S,10R,12S,13S,14R)-4,12,13,14-Tétrahydroxy-6-méthoxy-12-méthyl-15-oxatétracyclo[8.4.1.01,10.03,8]pentadéca-3,5,7-triène-2,9-dione [French] [ACD/IUPAC Name]
4a,9a-Epoxyanthracene-9,10-dione, 1,2,3,4-tetrahydro-1,2,3,8-tetrahydroxy-6-methoxy-3-methyl-, (1R,2S,3S,4aR,9aS)- [ACD/Index Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 699.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 107.5±3.0 kJ/mol
Flash Point: 264.0±25.0 °C
Index of Refraction: 1.718
Molar Refractivity: 76.7±0.4 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 4.20
ACD/LogD (pH 5.5): 2.64
ACD/BCF (pH 5.5): 57.80
ACD/KOC (pH 5.5): 614.16
ACD/LogD (pH 7.4): 1.65
ACD/BCF (pH 7.4): 6.00
ACD/KOC (pH 7.4): 63.71
Polar Surface Area: 137 Å2
Polarizability: 30.4±0.5 10-24cm3
Surface Tension: 99.0±5.0 dyne/cm
Molar Volume: 194.8±5.0 cm3

Click to predict properties on the Chemicalize site


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