ChemSpider 2D Image | Superstolide B | C36H50N2O6

Superstolide B

  • Molecular FormulaC36H50N2O6
  • Average mass606.792 Da
  • Monoisotopic mass606.366882 Da
  • ChemSpider ID10475489
  • 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,9R,10R,11E,13E,14aR,16aR,17S,19S,20aR,20bR)-9-[(2E,4R)-4-Acetamido-2-penten-2-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]oxacycl ohexadecin-17-yl carbamate [ACD/IUPAC Name]
(1E,3Z,5E,9R,10R,11E,13E,14aR,16aR,17S,19S,20aR,20bR)-9-[(2E,4R)-4-Acetamido-2-penten-2-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]oxacycl ohexadecin-17-ylcarbamat [German] [ACD/IUPAC Name]
Acetamide, N-[(1R,2E)-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]-1-methyl-2-buten-1-yl]- [ACD/Index Name]
Carbamate de (1E,3Z,5E,9R,10R,11E,13E,14aR,16aR,17S,19S,20aR,20bR)-9-[(2E,4R)-4-acétamido-2-pentén-2-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]
Superstolide B
(1E,3Z,5E,9R,10R,11E,13E,14aR,16aR,17S,19S,20aR,20bR)-9-[(2E,4R)-4-(acetylamino)pent-2-en-2-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]oxacyclohexadecin-17-yl carbamate
161300-74-9 [RN]
acetamide, N-[(1R,2E)-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]-1-methyl-2-buten-1-yl]-
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]-1-methyl- 2-butenyl]-, [9R-[1E,3Z,5E,9R*(1R*,2E),10R*,11E,13E,14aR*,16aR*,17S*,19S*,20aS,20bR*)]-

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 794.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 115.5±3.0 kJ/mol
Flash Point: 434.3±32.9 °C
Index of Refraction: 1.562
Molar Refractivity: 174.0±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 5.79
ACD/LogD (pH 5.5): 5.77
ACD/BCF (pH 5.5): 14274.60
ACD/KOC (pH 5.5): 32766.10
ACD/LogD (pH 7.4): 5.77
ACD/BCF (pH 7.4): 14274.60
ACD/KOC (pH 7.4): 32766.10
Polar Surface Area: 117 Å2
Polarizability: 69.0±0.5 10-24cm3
Surface Tension: 46.4±5.0 dyne/cm
Molar Volume: 536.7±5.0 cm3

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