ChemSpider 2D Image | 1,1'-[1,5,7,11-Tetrakis(hydroxymethyl)-6,12-bis(4-methoxyphenyl)-3,9-diazapentacyclo[6.4.0.0~2,7~.0~4,11~.0~5,10~]dodecane-3,9-diyl]diethanone | C32H38N2O8

1,1'-[1,5,7,11-Tetrakis(hydroxymethyl)-6,12-bis(4-methoxyphenyl)-3,9-diazapentacyclo[6.4.0.02,7.04,11.05,10]dodecane-3,9-diyl]diethanone

  • Molecular FormulaC32H38N2O8
  • Average mass578.653 Da
  • Monoisotopic mass578.262817 Da
  • ChemSpider ID418582

More details:






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

1,1'-[1,5,7,11-Tetrakis(hydroxymethyl)-6,12-bis(4-methoxyphenyl)-3,9-diazapentacyclo[6.4.0.02,7.04,11.05,10]dodecan-3,9-diyl]diethanon [German] [ACD/IUPAC Name]
1,1'-[1,5,7,11-Tetrakis(hydroxymethyl)-6,12-bis(4-methoxyphenyl)-3,9-diazapentacyclo[6.4.0.02,7.04,11.05,10]dodecane-3,9-diyl]diethanone [ACD/IUPAC Name]
1,1'-[1,5,7,11-Tétrakis(hydroxyméthyl)-6,12-bis(4-méthoxyphényl)-3,9-diazapentacyclo[6.4.0.02,7.04,11.05,10]dodécane-3,9-diyl]diéthanone [French] [ACD/IUPAC Name]
Ethanone, 1,1'-[1,5,7,11-tetrakis(hydroxymethyl)-6,12-bis(4-methoxyphenyl)-3,9-diazapentacyclo[6.4.0.02,7.04,11.05,10]dodecane-3,9-diyl]bis- [ACD/Index Name]
3,9-Diacetyl-1,5,7,11-tetrahydroxymethyl-6,12-bis(4-methoxyphenyl)-3,9-diazahexacyclo[6.4.0.02.7.04.11.05.10]dodecane

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

AIDS087918 [DBID]
AIDS-087918 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 824.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 125.6±3.0 kJ/mol
Flash Point: 452.3±34.3 °C
Index of Refraction: 1.653
Molar Refractivity: 150.6±0.3 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 1.06
ACD/LogD (pH 5.5): 0.84
ACD/BCF (pH 5.5): 2.56
ACD/KOC (pH 5.5): 68.18
ACD/LogD (pH 7.4): 0.84
ACD/BCF (pH 7.4): 2.56
ACD/KOC (pH 7.4): 68.18
Polar Surface Area: 140 Å2
Polarizability: 59.7±0.5 10-24cm3
Surface Tension: 66.1±3.0 dyne/cm
Molar Volume: 411.3±3.0 cm3

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