ChemSpider 2D Image | 2-[(1R,2E,4R,10S,11E,13S,14E,16S,29E,32E,34S,35E,38E)-34-[(2S)-2-Butanyl]-13-[(2R,3R)-3,4-dihydroxy-2-butanyl]-2,8,11,14,22,30,33,36,39-nonahydroxy-5-oxo-27-thia-3,6,12,15,25,29,32,35,38-nonaazapentac yclo[14.12.11.0~6,10~.0~18,26~.0~19,24~]nonatriaconta-2,11,14,18(26),19,21,23,29,32,35,38-undecaen-4-yl]ethanimidic acid | C39H54N10O13S

2-[(1R,2E,4R,10S,11E,13S,14E,16S,29E,32E,34S,35E,38E)-34-[(2S)-2-Butanyl]-13-[(2R,3R)-3,4-dihydroxy-2-butanyl]-2,8,11,14,22,30,33,36,39-nonahydroxy-5-oxo-27-thia-3,6,12,15,25,29,32,35,38-nonaazapentac yclo[14.12.11.06,10.018,26.019,24]nonatriaconta-2,11,14,18(26),19,21,23,29,32,35,38-undecaen-4-yl]ethanimidic acid

  • Molecular FormulaC39H54N10O13S
  • Average mass902.970 Da
  • Monoisotopic mass902.359253 Da
  • ChemSpider ID57262391

  • defined stereocentres - 9 of 10 defined stereocentres

More details:

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

2-[(1R,2E,4R,10S,11E,13S,14E,16S,29E,32E,34S,35E,38E)-34-[(2S)-2-Butanyl]-13-[(2R,3R)-3,4-dihydroxy-2-butanyl]-2,8,11,14,22,30,33,36,39-nonahydroxy-5-oxo-27-thia-3,6,12,15,25,29,32,35,38-nonaazapentac ;yclo[14.12.11.06,10.018,26.019,24]nonatriaconta-2,11,14,18(26),19,21,23,29,32,35,38-undecaen-4-yl]ethanimidic acid [ACD/IUPAC Name]
2-[(1R,2E,4R,10S,11E,13S,14E,16S,29E,32E,34S,35E,38E)-34-[(2S)-2-Butanyl]-13-[(2R,3R)-3,4-dihydroxy-2-butanyl]-2,8,11,14,22,30,33,36,39-nonahydroxy-5-oxo-27-thia-3,6,12,15,25,29,32,35,38-nonaazapentac ;yclo[14.12.11.06,10.018,26.019,24]nonatriaconta-2,11,14,18(26),19,21,23,29,32,35,38-undecaen-4-yl]ethanimidsäure [German] [ACD/IUPAC Name]
9,18-(Nitriloethanylylidenenitriloethanylylidenenitriloethanylylidenenitrilometheno)pyrrolo[1',2':8,9][1,5,8,11,14]thiatetraazacyclooctadecino[18,17-b]indole-6-ethanimidic acid, 21-[(1R,2R)-2,3-dihydr oxy-1-methylpropyl]-1,2,3,5,6,9,10,12,17,18,21,23a-dodecahydro-2,8,14,20,23,24,27,30,33-nonahydroxy-29-[(1S)-1-methylpropyl]-5-oxo-, (6R,7E,9R,18S,19E,21S,22E,23aS,24E,27E,29S,30E,33E)- [ACD/Index Name]
Acide 2-[(1R,2E,4R,10S,11E,13S,14E,16S,29E,32E,34S,35E,38E)-34-[(2S)-2-butanyl]-13-[(2R,3R)-3,4-dihydroxy-2-butanyl]-2,8,11,14,22,30,33,36,39-nonahydroxy-5-oxo-27-thia-3,6,12,15,25,29,32,35,38-nonaaza ;pentacyclo[14.12.11.06,10.018,26.019,24]nonatriaconta-2,11,14,18(26),19,21,23,29,32,35,38-undécaén-4-yl]éthanimidique [French] [ACD/IUPAC Name]
58311-65-2 [RN]
Amaninamide

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

Density: 1.7±0.1 g/cm3
Boiling Point: 1344.4±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 212.4±3.0 kJ/mol
Flash Point: 766.9±37.1 °C
Index of Refraction: 1.747
Molar Refractivity: 218.2±0.5 cm3
#H bond acceptors: 23
#H bond donors: 14
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: -8.55
ACD/LogD (pH 5.5): -9.21
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -12.85
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 415 Å2
Polarizability: 86.5±0.5 10-24cm3
Surface Tension: 76.2±7.0 dyne/cm
Molar Volume: 536.9±7.0 cm3

Click to predict properties on the Chemicalize site


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