ChemSpider 2D Image | Proamanullin | C39H54N10O11S

Proamanullin

  • Molecular FormulaC39H54N10O11S
  • Average mass870.971 Da
  • Monoisotopic mass870.369446 Da
  • ChemSpider ID48308194

  • defined stereocentres - 8 of 9 defined stereocentres

More details:

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

2-[(1R,4S,10S,13S,16S,34S)-13,34-Di[(2S)-2-butanyl]-22-hydroxy-2,5,11,14,30,33,36,39-octaoxo-27-oxydo-27-thia-3,6,12,15,25,29,32,35,38-nonaazapentacyclo[14.12.11.06,10.018,26.019,24]nonatriacont 
a-18(26),19,21,23-tétraén-4-yl]acétamide [French] [ACD/IUPAC Name]
2-[(1R,4S,10S,13S,16S,34S)-13,34-Di[(2S)-2-butanyl]-22-hydroxy-27-oxido-2,5,11,14,30,33,36,39-octaoxo-27-thia-3,6,12,15,25,29,32,35,38-nonaazapentacyclo[14.12.11.06,10.018,26.019,24]nonatriacont 
a-18(26),19,21,23-tetraen-4-yl]acetamid [German] [ACD/IUPAC Name]
2-[(1R,4S,10S,13S,16S,34S)-13,34-Di[(2S)-2-butanyl]-22-hydroxy-27-oxido-2,5,11,14,30,33,36,39-octaoxo-27-thia-3,6,12,15,25,29,32,35,38-nonaazapentacyclo[14.12.11.06,10.018,26.019,24]nonatriacont 
a-18(26),19,21,23-tetraen-4-yl]acetamide [ACD/IUPAC Name]
9,18-(Iminoethanoiminoethanoiminoethanoiminomethano)pyrrolo[1',2':8,9][1,5,8,11,14]thiatetraazacyclooctadecino[18,17-b]indole-6-acetamide, 1,2,3,5,6,7,8,9,10,12,17,18,19,20,21,22,23,23a-octadecahydro- 14-hydroxy-21,29-bis[(1S)-1-methylpropyl]-5,8,20,23,24,27,30,33-octaoxo-, 11-oxide, (6S,9R,18S,21S,23aS,29S)- [ACD/Index Name]
Proamanullin [Wiki]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 1492.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 238.0±3.0 kJ/mol
Flash Point: 856.6±34.3 °C
Index of Refraction: 1.665
Molar Refractivity: 220.0±0.4 cm3
#H bond acceptors: 21
#H bond donors: 11
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: -5.11
ACD/LogD (pH 5.5): -4.40
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.41
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 339 Å2
Polarizability: 87.2±0.5 10-24cm3
Surface Tension: 84.3±5.0 dyne/cm
Molar Volume: 592.2±5.0 cm3

Click to predict properties on the Chemicalize site


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