ChemSpider 2D Image | Bis(2-methyl-2-propanyl) 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-dicarboxylate | C38H50N2O10

Bis(2-methyl-2-propanyl) 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-dicarboxylate

  • Molecular FormulaC38H50N2O10
  • Average mass694.811 Da
  • Monoisotopic mass694.346558 Da
  • ChemSpider ID418590

More details:

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

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-dicarboxylate de bis(2-méthyl-2-propanyle) [French] [ACD/IUPAC Name]
3,9-Diazapentacyclo[6.4.0.02,7.04,11.05,10]dodecane-3,9-dicarboxylic acid, 1,5,7,11-tetrakis(hydroxymethyl)-6,12-bis(4-methoxyphenyl)-, bis(1,1-dimethylethyl) ester [ACD/Index Name]
Bis(2-methyl-2-propanyl) 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-dicarboxylate [ACD/IUPAC Name]
Bis(2-methyl-2-propanyl)-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-dicarboxylat [German] [ACD/IUPAC Name]
3,9-Di-tert-butyloxycarbonyl-1,5,7,11-tetrahydroxymethyl-6,12-(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

AIDS087926 [DBID]
AIDS-087926 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 799.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 121.9±3.0 kJ/mol
Flash Point: 437.1±32.9 °C
Index of Refraction: 1.612
Molar Refractivity: 181.9±0.3 cm3
#H bond acceptors: 12
#H bond donors: 4
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 3.71
ACD/LogD (pH 5.5): 3.37
ACD/BCF (pH 5.5): 215.63
ACD/KOC (pH 5.5): 1629.59
ACD/LogD (pH 7.4): 3.37
ACD/BCF (pH 7.4): 215.63
ACD/KOC (pH 7.4): 1629.59
Polar Surface Area: 158 Å2
Polarizability: 72.1±0.5 10-24cm3
Surface Tension: 58.4±3.0 dyne/cm
Molar Volume: 523.1±3.0 cm3

Click to predict properties on the Chemicalize site


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