ChemSpider 2D Image | 13,22-Dihydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3,19,20-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18(22)-pentaen-9-yl carbamate | C28H38N2O9

13,22-Dihydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3,19,20-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18(22)-pentaen-9-yl carbamate

  • Molecular FormulaC28H38N2O9
  • Average mass546.609 Da
  • Monoisotopic mass546.257751 Da
  • ChemSpider ID281939

More details:






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

13,22-Dihydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3,19,20-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18(22)-pentaen-9-yl carbamate [ACD/IUPAC Name]
13,22-Dihydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3,19,20-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18(22)-pentaen-9-ylcarbamat [German] [ACD/IUPAC Name]
2-Azabicyclo[16.3.1]docosa-4,6,10,18(22),21-pentaene-3,19,20-trione, 9-[(aminocarbonyl)oxy]-13,22-dihydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl- [ACD/Index Name]
Carbamate de 13,22-dihydroxy-8,14-diméthoxy-4,10,12,16-tétraméthyl-3,19,20-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18(22)-pentaén-9-yle [French] [ACD/IUPAC Name]

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

NCI60_002051 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 731.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.4 mmHg at 25°C
Enthalpy of Vaporization: 121.8±6.0 kJ/mol
Flash Point: 395.9±32.9 °C
Index of Refraction: 1.575
Molar Refractivity: 141.9±0.4 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 3
ACD/LogP: 1.64
ACD/LogD (pH 5.5): 0.40
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 10.38
ACD/LogD (pH 7.4): -1.33
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 174 Å2
Polarizability: 56.3±0.5 10-24cm3
Surface Tension: 55.7±5.0 dyne/cm
Molar Volume: 429.7±5.0 cm3

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