Found 1 result

Search term: FCVJNSAIAOJITC (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (1S,10S)-17-Methyl-2,19-dioxapentacyclo[8.8.1.1~1,11~.0~4,9~.0~15,20~]icosa-4,6,8,11(20),12,14-hexaene-5,12-diyl bis(2-bromobenzoate) | C33H24Br2O6

(1S,10S)-17-Methyl-2,19-dioxapentacyclo[8.8.1.11,11.04,9.015,20]icosa-4,6,8,11(20),12,14-hexaene-5,12-diyl bis(2-bromobenzoate)

  • Molecular FormulaC33H24Br2O6
  • Average mass676.348 Da
  • Monoisotopic mass673.993958 Da
  • ChemSpider ID30650044

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

(1S,10S)-17-Methyl-2,19-dioxapentacyclo[8.8.1.11,11.04,9.015,20]icosa-4,6,8,11(20),12,14-hexaen-5,12-diyl-bis(2-brombenzoat) [German] [ACD/IUPAC Name]
(1S,10S)-17-Methyl-2,19-dioxapentacyclo[8.8.1.11,11.04,9.015,20]icosa-4,6,8,11(20),12,14-hexaene-5,12-diyl bis(2-bromobenzoate) [ACD/IUPAC Name]
Benzoic acid, 2-bromo-, (6aS,13S)-5,6,8,13-tetrahydro-5-methyl-4H-6a,13-epoxybenzo[f]naphth[1,8-bc]oxocin-1,9-diyl ester [ACD/Index Name]
Bis(2-bromobenzoate) de (1S,10S)-17-méthyl-2,19-dioxapentacyclo[8.8.1.11,11.04,9.015,20]icosa-4,6,8,11(20),12,14-hexaène-5,12-diyle [French] [ACD/IUPAC 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: 797.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 115.9±3.0 kJ/mol
Flash Point: 436.0±32.9 °C
Index of Refraction: 1.724
Molar Refractivity: 159.0±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 8.81
ACD/LogD (pH 5.5): 7.78
ACD/BCF (pH 5.5): 483089.06
ACD/KOC (pH 5.5): 407566.53
ACD/LogD (pH 7.4): 7.78
ACD/BCF (pH 7.4): 483089.06
ACD/KOC (pH 7.4): 407566.53
Polar Surface Area: 71 Å2
Polarizability: 63.0±0.5 10-24cm3
Surface Tension: 73.8±5.0 dyne/cm
Molar Volume: 400.7±5.0 cm3

Click to predict properties on the Chemicalize site


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