ChemSpider 2D Image | (4E,8S,9S,10E,12S,13R,14S,16R)-13,19,20-Trihydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3-oxo-2-azabicyclo[16.3.1]docosa-1(22),4,10,18,20-pentaen-9-yl carbamate | C28H42N2O8

(4E,8S,9S,10E,12S,13R,14S,16R)-13,19,20-Trihydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3-oxo-2-azabicyclo[16.3.1]docosa-1(22),4,10,18,20-pentaen-9-yl carbamate

  • Molecular FormulaC28H42N2O8
  • Average mass534.642 Da
  • Monoisotopic mass534.294128 Da
  • ChemSpider ID23312558

  • 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,9S,10E,12S,13R,14S,16R)-13,19,20-Trihydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3-oxo-2-azabicyclo[16.3.1]docosa-1(22),4,10,18,20-pentaen-9-yl carbamate [ACD/IUPAC Name]
(4E,8S,9S,10E,12S,13R,14S,16R)-13,19,20-Trihydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-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]-13,19,20-trihydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-, (4E,8S,9S,10E,12S,13R,14S,16R)- [ACD/Index Name]
Carbamate de (4E,8S,9S,10E,12S,13R,14S,16R)-13,19,20-trihydroxy-8,14-diméthoxy-4,10,12,16-tétraméthyl-3-oxo-2-azabicyclo[16.3.1]docosa-1(22),4,10,18,20-pentaén-9-yle [French] [ACD/IUPAC Name]
carbamic acid (4E,10E)-(8S,9S,12S,13R,14S,16R)-13,19,20-trihydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3-oxo-2-aza-bicyclo[16.3.1]docosa-1(21),4,10,18(22),19-pentaen-9-yl ester
EH21A3
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL401784/

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

Density: 1.2±0.1 g/cm3
Boiling Point: 750.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 114.8±3.0 kJ/mol
Flash Point: 407.9±32.9 °C
Index of Refraction: 1.575
Molar Refractivity: 143.1±0.4 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 3
ACD/LogP: 2.54
ACD/LogD (pH 5.5): 2.80
ACD/BCF (pH 5.5): 78.78
ACD/KOC (pH 5.5): 792.59
ACD/LogD (pH 7.4): 2.79
ACD/BCF (pH 7.4): 78.06
ACD/KOC (pH 7.4): 785.32
Polar Surface Area: 161 Å2
Polarizability: 56.7±0.5 10-24cm3
Surface Tension: 56.3±5.0 dyne/cm
Molar Volume: 433.1±5.0 cm3

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