ChemSpider 2D Image | (8S,9S,12S,14S,16R)-8,14-Dimethoxy-4,10,12,16-tetramethyl-19-(methylamino)-3,13,20,22-tetraoxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl carbamate | C29H39N3O8

(8S,9S,12S,14S,16R)-8,14-Dimethoxy-4,10,12,16-tetramethyl-19-(methylamino)-3,13,20,22-tetraoxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl carbamate

  • Molecular FormulaC29H39N3O8
  • Average mass557.635 Da
  • Monoisotopic mass557.273743 Da
  • ChemSpider ID8545941

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres

More details:

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

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

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

Density: 1.2±0.1 g/cm3
Boiling Point: 782.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 113.9±3.0 kJ/mol
Flash Point: 427.3±32.9 °C
Index of Refraction: 1.561
Molar Refractivity: 147.3±0.4 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 1.56
ACD/LogD (pH 5.5): 1.74
ACD/BCF (pH 5.5): 12.31
ACD/KOC (pH 5.5): 209.82
ACD/LogD (pH 7.4): 1.73
ACD/BCF (pH 7.4): 11.98
ACD/KOC (pH 7.4): 204.29
Polar Surface Area: 163 Å2
Polarizability: 58.4±0.5 10-24cm3
Surface Tension: 50.9±5.0 dyne/cm
Molar Volume: 454.9±5.0 cm3

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