ChemSpider 2D Image | 20,22-Dihydroxy-13,14,17-trimethoxy-4,8,10,12,16-pentamethyl-3-oxo-2-azabicyclo[16.3.1]docosa-1(22),4,6,10,18,20-hexaen-9-yl carbamate | C30H44N2O8

20,22-Dihydroxy-13,14,17-trimethoxy-4,8,10,12,16-pentamethyl-3-oxo-2-azabicyclo[16.3.1]docosa-1(22),4,6,10,18,20-hexaen-9-yl carbamate

  • Molecular FormulaC30H44N2O8
  • Average mass560.679 Da
  • Monoisotopic mass560.309753 Da
  • ChemSpider ID4698914

  • Double-bond stereo - Double-bond stereo

More details:

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

20,22-Dihydroxy-13,14,17-trimethoxy-4,8,10,12,16-pentamethyl-3-oxo-2-azabicyclo[16.3.1]docosa-1(22),4,6,10,18,20-hexaen-9-yl carbamate [ACD/IUPAC Name]
20,22-Dihydroxy-13,14,17-trimethoxy-4,8,10,12,16-pentamethyl-3-oxo-2-azabicyclo[16.3.1]docosa-1(22),4,6,10,18,20-hexaen-9-ylcarbamat [German] [ACD/IUPAC Name]
2-Azabicyclo[16.3.1]docosa-1(22),4,6,10,18,20-hexaen-3-one, 9-[(aminocarbonyl)oxy]-20,22-dihydroxy-13,14,17-trimethoxy-4,8,10,12,16-pentamethyl- [ACD/Index Name]
Carbamate de 20,22-dihydroxy-13,14,17-triméthoxy-4,8,10,12,16-pentaméthyl-3-oxo-2-azabicyclo[16.3.1]docosa-1(22),4,6,10,18,20-hexaén-9-yle [French] [ACD/IUPAC Name]
73341-73-8 [RN]
Geldanamycin, 18,21-didehydro-6,17-didemethoxy-18,21-dideoxo-18,21-dihydroxy-15-methoxy-6-methyl-11-O-methyl-, (6S,15R)-
macbecin II

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

AIDS031416 [DBID]
AIDS-031416 [DBID]
NSC330500 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 698.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 106.0±3.0 kJ/mol
Flash Point: 376.5±31.5 °C
Index of Refraction: 1.565
Molar Refractivity: 152.5±0.4 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 3
ACD/LogP: 2.94
ACD/LogD (pH 5.5): 3.94
ACD/BCF (pH 5.5): 577.44
ACD/KOC (pH 5.5): 3298.22
ACD/LogD (pH 7.4): 3.93
ACD/BCF (pH 7.4): 575.13
ACD/KOC (pH 7.4): 3284.99
Polar Surface Area: 150 Å2
Polarizability: 60.4±0.5 10-24cm3
Surface Tension: 51.8±5.0 dyne/cm
Molar Volume: 467.9±5.0 cm3

Click to predict properties on the Chemicalize site


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