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Search term: CSOMAHTTWTVBFL-RRSCQWGLSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 3-{[3-(5,9-Dimethyl-4-oxo-8-oxatetracyclo[7.2.1.1~7,10~.0~1,6~]tridec-2-en-5-yl)propanoyl]amino}-2,4-dihydroxybenzoic acid | C24H27NO7

3-{[3-(5,9-Dimethyl-4-oxo-8-oxatetracyclo[7.2.1.17,10.01,6]tridec-2-en-5-yl)propanoyl]amino}-2,4-dihydroxybenzoic acid

  • Molecular FormulaC24H27NO7
  • Average mass441.474 Da
  • Monoisotopic mass441.178741 Da
  • ChemSpider ID24625126

  • defined stereocentres - 3 of 6 defined stereocentres

More details:

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

3-{[3-(5,9-Dimethyl-4-oxo-8-oxatetracyclo[7.2.1.17,10.01,6]tridec-2-en-5-yl)propanoyl]amino}-2,4-dihydroxybenzoesäure [German] [ACD/IUPAC Name]
3-{[3-(5,9-Dimethyl-4-oxo-8-oxatetracyclo[7.2.1.17,10.01,6]tridec-2-en-5-yl)propanoyl]amino}-2,4-dihydroxybenzoic acid [ACD/IUPAC Name]
Acide 3-{[3-(5,9-diméthyl-4-oxo-8-oxatétracyclo[7.2.1.17,10.01,6]tridéc-2-én-5-yl)propanoyl]amino}-2,4-dihydroxybenzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 3-[[3-(1,4,5,8,9,9a-hexahydro-3,9-dimethyl-8-oxo-3H-1,4:3,5a-dimethano-2-benzoxepin-9-yl)-1-oxopropyl]amino]-2,4-dihydroxy- [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: 683.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 105.2±3.0 kJ/mol
Flash Point: 366.9±31.5 °C
Index of Refraction: 1.670
Molar Refractivity: 112.1±0.4 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.00
ACD/LogD (pH 5.5): 0.27
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.55
ACD/LogD (pH 7.4): 0.00
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 133 Å2
Polarizability: 44.5±0.5 10-24cm3
Surface Tension: 76.3±5.0 dyne/cm
Molar Volume: 300.1±5.0 cm3

Click to predict properties on the Chemicalize site


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