ChemSpider 2D Image | superstolide A | C36H52N2O7

superstolide A

  • Molecular FormulaC36H52N2O7
  • Average mass624.807 Da
  • Monoisotopic mass624.377441 Da
  • ChemSpider ID8433883

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 11 of 11 defined stereocentres

More details:

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(1E,3Z,5E,9R,10R,11E,13E,14aR,16aR,17S,19S,20aR,20bR)-9-[(2R,3S,4R)-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]
(1E,3Z,5E,9R,10R,11E,13E,14aR,16aR,17S,19S,20aR,20bR)-9-[(2R,3S,4R)-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-[(1R,2S,3R)-3-[(1E,3Z,5E,9R,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]-2-hydroxy-1-methylbutyl]- [ACD/Index Name]
Carbamate de (1E,3Z,5E,9R,10R,11E,13E,14aR,16aR,17S,19S,20aR,20bR)-9-[(2R,3S,4R)-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-7 H-naphto[2,1-h]oxacyclohexadécin-17-yle [French] [ACD/IUPAC Name]
superstolide A
(+)-superstolide A
156368-64-8 [RN]
Acetamide, N-[3-[17-[(aminocarbonyl)oxy]-9,10,14a,16a, 17,18,19,20,20a,20b-decahydro-19-methoxy-3,10,13,13,20b- tetramethyl-7-oxo-7H-naphth[2,1-h]oxacyclohexadecin-9-yl]- 2-hydroxy-1-methylbutyl]-, [9R-[1E,3Z,5E,9R*(1R*,2S*,3R*),10R*,11E,13E,14aR*,16aR*,17S*,19S*,20aR*,20bR*]]-

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: 4.71
ACD/LogD (pH 5.5): 4.92
ACD/BCF (pH 5.5): 3235.42
ACD/KOC (pH 5.5): 11324.06
ACD/LogD (pH 7.4): 4.92
ACD/BCF (pH 7.4): 3235.41
ACD/KOC (pH 7.4): 11324.05
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

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