ChemSpider 2D Image | (4E,8S,9R,10E,12S,13R,14S,16R)-13,20-Dihydroxy-14-methoxy-4,8,10,12,16-pentamethyl-3-oxo-2-azabicyclo[16.3.1]docosa-1(22),4,10,18,20-pentaen-9-yl carbamate | C28H42N2O6

(4E,8S,9R,10E,12S,13R,14S,16R)-13,20-Dihydroxy-14-methoxy-4,8,10,12,16-pentamethyl-3-oxo-2-azabicyclo[16.3.1]docosa-1(22),4,10,18,20-pentaen-9-yl carbamate

  • Molecular FormulaC28H42N2O6
  • Average mass502.643 Da
  • Monoisotopic mass502.304291 Da
  • ChemSpider ID17342521

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(4E,8S,9R,10E,12S,13R,14S,16R)-13,20-Dihydroxy-14-methoxy-4,8,10,12,16-pentamethyl-3-oxo-2-azabicyclo[16.3.1]docosa-1(22),4,10,18,20-pentaen-9-yl carbamate [ACD/IUPAC Name]
(4E,8S,9R,10E,12S,13R,14S,16R)-13,20-Dihydroxy-14-methoxy-4,8,10,12,16-pentamethyl-3-oxo-2-azabicyclo[16.3.1]docosa-1(22),4,10,18,20-pentaen-9-ylcarbamat [German] [ACD/IUPAC Name]
2-Azabicyclo[16.3.1]docosa-1(22),4,10,18,20-pentaen-3-one, 9-[(aminocarbonyl)oxy]-13,20-dihydroxy-14-methoxy-4,8,10,12,16-pentamethyl-, (4E,8S,9R,10E,12S,13R,14S,16R)- [ACD/Index Name]
Carbamate de (4E,8S,9R,10E,12S,13R,14S,16R)-13,20-dihydroxy-14-méthoxy-4,8,10,12,16-pentaméthyl-3-oxo-2-azabicyclo[16.3.1]docosa-1(22),4,10,18,20-pentaén-9-yle [French] [ACD/IUPAC Name]
BC6
Carbamic acid (4E,10E)-(8S,9R,12S,13R,14S,16R)-13,20-dihydroxy-14-methoxy-4,8,10,12,16-pentamethyl-3-oxo-2-aza-bicyclo[16.3.1]docosa-1(21),4,10,18(22),19-pentaen-9-yl ester
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL493080/

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

Density: 1.2±0.1 g/cm3
Boiling Point: 721.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 110.6±3.0 kJ/mol
Flash Point: 389.9±32.9 °C
Index of Refraction: 1.563
Molar Refractivity: 139.9±0.4 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: 4.40
ACD/LogD (pH 5.5): 4.31
ACD/BCF (pH 5.5): 1108.28
ACD/KOC (pH 5.5): 5259.57
ACD/LogD (pH 7.4): 4.31
ACD/BCF (pH 7.4): 1102.91
ACD/KOC (pH 7.4): 5234.09
Polar Surface Area: 131 Å2
Polarizability: 55.4±0.5 10-24cm3
Surface Tension: 51.1±5.0 dyne/cm
Molar Volume: 430.4±5.0 cm3

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