ChemSpider 2D Image | (1E,3Z,5E,9S,10R,11E,13E,14aR,16aR,17S,19S,20aR,20bR)-9-[(1E,3R)-3-Acetamido-1-buten-1-yl]-19-methoxy-3,10,13,20b-tetramethyl-7-oxo-9,10,14a,16a,17,18,19,20,20a,20b-decahydro-7H-naphtho[2,1-h]oxacyclo hexadecin-17-yl carbamate | C35H48N2O6

(1E,3Z,5E,9S,10R,11E,13E,14aR,16aR,17S,19S,20aR,20bR)-9-[(1E,3R)-3-Acetamido-1-buten-1-yl]-19-methoxy-3,10,13,20b-tetramethyl-7-oxo-9,10,14a,16a,17,18,19,20,20a,20b-decahydro-7H-naphtho[2,1-h]oxacyclo hexadecin-17-yl carbamate

  • Molecular FormulaC35H48N2O6
  • Average mass592.765 Da
  • Monoisotopic mass592.351257 Da
  • ChemSpider ID8161488

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(1E,3Z,5E,9S,10R,11E,13E,14aR,16aR,17S,19S,20aR,20bR)-9-[(1E,3R)-3-Acetamido-1-buten-1-yl]-19-methoxy-3,10,13,20b-tetramethyl-7-oxo-9,10,14a,16a,17,18,19,20,20a,20b-decahydro-7H-naphtho[2,1-h]oxacyclo hexadecin-17-yl carbamate [ACD/IUPAC Name]
(1E,3Z,5E,9S,10R,11E,13E,14aR,16aR,17S,19S,20aR,20bR)-9-[(1E,3R)-3-Acetamido-1-buten-1-yl]-19-methoxy-3,10,13,20b-tetramethyl-7-oxo-9,10,14a,16a,17,18,19,20,20a,20b-decahydro-7H-naphtho[2,1-h]oxacyclo hexadecin-17-ylcarbamat [German] [ACD/IUPAC Name]
Acetamide, N-[(1R,2E)-3-[(1E,3Z,5E,9S,10R,11E,13E,14aR,16aR,17S,19S,20aR,20bR)-17-[(aminocarbonyl)oxy]-9,10,14a,16a,17,18,19,20,20a,20b-decahydro-19-methoxy-3,10,13,20b-tetramethyl-7-oxo-7H-naphth[2,1 -h]oxacyclohexadecin-9-yl]-1-methyl-2-propen-1-yl]- [ACD/Index Name]
Carbamate de (1E,3Z,5E,9S,10R,11E,13E,14aR,16aR,17S,19S,20aR,20bR)-9-[(1E,3R)-3-acétamido-1-butén-1-yl]-19-méthoxy-3,10,13,20b-tétraméthyl-7-oxo-9,10,14a,16a,17,18,19,20,20a,20b-décahydro-7H-naphto[2, 1-h]oxacyclohexadécin-17-yle [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 788.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 114.6±3.0 kJ/mol
Flash Point: 430.4±32.9 °C
Index of Refraction: 1.565
Molar Refractivity: 169.6±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 5.24
ACD/LogD (pH 5.5): 5.25
ACD/BCF (pH 5.5): 5771.66
ACD/KOC (pH 5.5): 17136.85
ACD/LogD (pH 7.4): 5.25
ACD/BCF (pH 7.4): 5771.66
ACD/KOC (pH 7.4): 17136.85
Polar Surface Area: 117 Å2
Polarizability: 67.2±0.5 10-24cm3
Surface Tension: 47.1±5.0 dyne/cm
Molar Volume: 520.8±5.0 cm3

Click to predict properties on the Chemicalize site


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