ChemSpider 2D Image | 9-(4-Acetamido-3-hydroxy-2-pentanyl)-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]oxacyclohexadecin-17-yl carbamate | C36H52N2O7

9-(4-Acetamido-3-hydroxy-2-pentanyl)-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]oxacyclohexadecin-17-yl carbamate

  • Molecular FormulaC36H52N2O7
  • Average mass624.807 Da
  • Monoisotopic mass624.377441 Da
  • ChemSpider ID2852961

More details:

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

9-(4-Acetamido-3-hydroxy-2-pentanyl)-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]oxacyclohexadecin-17-yl carbamate [ACD/IUPAC Name]
9-(4-Acetamido-3-hydroxy-2-pentanyl)-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]oxacyclohexadecin-17-ylcarbamat [German] [ACD/IUPAC Name]
Acetamide, N-[3-[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]-2-hydroxy-1-methylbutyl]- [ACD/Index Name]
Carbamate de 9-(4-acétamido-3-hydroxy-2-pentanyl)-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: 1.2±0.1 g/cm3
Boiling Point: 819.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 135.5±6.0 kJ/mol
Flash Point: 449.3±34.3 °C
Index of Refraction: 1.562
Molar Refractivity: 175.8±0.4 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 4.68
ACD/LogD (pH 5.5): 4.91
ACD/BCF (pH 5.5): 3152.28
ACD/KOC (pH 5.5): 11115.01
ACD/LogD (pH 7.4): 4.91
ACD/BCF (pH 7.4): 3152.27
ACD/KOC (pH 7.4): 11115.01
Polar Surface Area: 137 Å2
Polarizability: 69.7±0.5 10-24cm3
Surface Tension: 48.4±5.0 dyne/cm
Molar Volume: 541.9±5.0 cm3

Click to predict properties on the Chemicalize site


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