ChemSpider 2D Image | 2-[34-sec-Butyl-8,22-dihydroxy-13-(3-hydroxy-2-butanyl)-27-oxido-2,5,11,14,30,33,36,39-octaoxo-27-thia-3,6,12,15,25,29,32,35,38-nonaazapentacyclo[14.12.11.0~6,10~.0~18,26~.0~19,24~]nonatriaconta-18(26 ),19,21,23-tetraen-4-yl]acetamide | C39H54N10O13S

2-[34-sec-Butyl-8,22-dihydroxy-13-(3-hydroxy-2-butanyl)-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]nonatriaconta-18(26 ),19,21,23-tetraen-4-yl]acetamide

  • Molecular FormulaC39H54N10O13S
  • Average mass902.970 Da
  • Monoisotopic mass902.359253 Da
  • ChemSpider ID96980

More details:

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

2-[34-sec-Butyl-8,22-dihydroxy-13-(3-hydroxy-2-butanyl)-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]nonatriaconta-18(26 ),19,21,23-tétraén-4-yl]acétamide [French] [ACD/IUPAC Name]
2-[34-sec-Butyl-8,22-dihydroxy-13-(3-hydroxy-2-butanyl)-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]nonatriaconta-18(26 ),19,21,23-tetraen-4-yl]acetamid [German] [ACD/IUPAC Name]
2-[34-sec-Butyl-8,22-dihydroxy-13-(3-hydroxy-2-butanyl)-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]nonatriaconta-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- 2,14-dihydroxy-21-(2-hydroxy-1-methylpropyl)-29-(1-methylpropyl)-5,8,20,23,24,27,30,33-octaoxo-, 11-oxide [ACD/Index Name]
21150-23-2 [RN]
27745-17-1 [RN]
31098-02-9 [RN]
9,18-(Iminoethaniminoethaniminoethaniminomethano)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-29-sec-butyl-2,14-dihydroxy-21-(2-hydroxy-1-methylpropyl)-5,8,20,23,24,27,30,33-octaoxo-, 11-oxide

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

BRN 1070216 [DBID]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 1566.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 255.3±3.0 kJ/mol
Flash Point: 901.2±34.3 °C
Index of Refraction: 1.684
Molar Refractivity: 223.0±0.4 cm3
#H bond acceptors: 23
#H bond donors: 13
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: -7.98
ACD/LogD (pH 5.5): -7.14
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.14
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 380 Å2
Polarizability: 88.4±0.5 10-24cm3
Surface Tension: 92.9±5.0 dyne/cm
Molar Volume: 587.6±5.0 cm3

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