Found 1 result

Search term: 78440741 (Found by CSID)
ChemSpider 2D Image | (1S,10S,13R)-3,6-Dihydroxy-8-oxo-14,16-dioxatetracyclo[11.2.1.0~1,10~.0~2,7~]hexadeca-2,4,6-triene-10-carboxylic acid | C15H14O7

(1S,10S,13R)-3,6-Dihydroxy-8-oxo-14,16-dioxatetracyclo[11.2.1.01,10.02,7]hexadeca-2,4,6-triene-10-carboxylic acid

  • Molecular FormulaC15H14O7
  • Average mass306.267 Da
  • Monoisotopic mass306.073944 Da
  • ChemSpider ID78440741

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(1S,10S,13R)-3,6-Dihydroxy-8-oxo-14,16-dioxatetracyclo[11.2.1.01,10.02,7]hexadeca-2,4,6-trien-10-carbonsäure [German] [ACD/IUPAC Name]
(1S,10S,13R)-3,6-Dihydroxy-8-oxo-14,16-dioxatetracyclo[11.2.1.01,10.02,7]hexadeca-2,4,6-triene-10-carboxylic acid [ACD/IUPAC Name]
1H-3,11b-Epoxynaphth[1,2-c]oxepin-5a(3H)-carboxylic acid, 4,5,6,7-tetrahydro-8,11-dihydroxy-7-oxo-, (3R,5aS,11bS)- [ACD/Index Name]
Acide (1S,10S,13R)-3,6-dihydroxy-8-oxo-14,16-dioxatétracyclo[11.2.1.01,10.02,7]hexadéca-2,4,6-triène-10-carboxylique [French] [ACD/IUPAC Name]
(+)-cochlearol A

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

Density: 1.7±0.1 g/cm3
Boiling Point: 658.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.8±3.0 kJ/mol
Flash Point: 253.7±25.0 °C
Index of Refraction: 1.713
Molar Refractivity: 70.6±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.47
ACD/LogD (pH 5.5): 0.40
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.59
ACD/LogD (pH 7.4): -1.23
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 113 Å2
Polarizability: 28.0±0.5 10-24cm3
Surface Tension: 95.3±5.0 dyne/cm
Molar Volume: 180.2±5.0 cm3

Click to predict properties on the Chemicalize site


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