ChemSpider 2D Image | 4,10,14,20,34-Pentahydroxy-3,7,9,11,17,21-hexamethyl-29-azatricyclo[28.3.1.0~5,33~]tetratriaconta-1(33),2,4,7,12,16,22,24,26,30(34)-decaene-6,18,28,31,32-pentone | C39H45NO10

4,10,14,20,34-Pentahydroxy-3,7,9,11,17,21-hexamethyl-29-azatricyclo[28.3.1.05,33]tetratriaconta-1(33),2,4,7,12,16,22,24,26,30(34)-decaene-6,18,28,31,32-pentone

  • Molecular FormulaC39H45NO10
  • Average mass687.775 Da
  • Monoisotopic mass687.304321 Da
  • ChemSpider ID303994

More details:






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

31,3-Metheno-3H-4-benzazacyclononacosine-1,2,5,15,27(4H,12H,18H)-pentone, 13,14,19,22,23,24-hexahydro-13,19,23,28,32-pentahydroxy-12,16,22,24,26,29-hexamethyl- [ACD/Index Name]
4,10,14,20,34-Pentahydroxy-3,7,9,11,17,21-hexamethyl-29-azatricyclo[28.3.1.05,33]tetratriaconta-1(33),2,4,7,12,16,22,24,26,30(34)-decaen-6,18,28,31,32-penton [German] [ACD/IUPAC Name]
4,10,14,20,34-Pentahydroxy-3,7,9,11,17,21-hexamethyl-29-azatricyclo[28.3.1.05,33]tetratriaconta-1(33),2,4,7,12,16,22,24,26,30(34)-decaene-6,18,28,31,32-pentone [ACD/IUPAC Name]
4,10,14,20,34-Pentahydroxy-3,7,9,11,17,21-hexaméthyl-29-azatricyclo[28.3.1.05,33]tétratriaconta-1(33),2,4,7,12,16,22,24,26,30(34)-décaène-6,18,28,31,32-pentone [French] [ACD/IUPAC Name]

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

NCI60_003611 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 983.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 150.2±3.0 kJ/mol
Flash Point: 548.6±34.3 °C
Index of Refraction: 1.633
Molar Refractivity: 185.7±0.4 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 3
ACD/LogP: 3.28
ACD/LogD (pH 5.5): 1.13
ACD/BCF (pH 5.5): 1.90
ACD/KOC (pH 5.5): 20.98
ACD/LogD (pH 7.4): -1.06
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 199 Å2
Polarizability: 73.6±0.5 10-24cm3
Surface Tension: 66.5±5.0 dyne/cm
Molar Volume: 519.9±5.0 cm3

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