ChemSpider 2D Image | 2,2'-[32-{3-[(Diaminomethylene)amino]propyl}-21-hydroxy-11-(1-hydroxyethyl)-26-(hydroxymethyl)-15-(9-methyldecyl)-5,10,13,17,20,25,28,31,34-nonaoxodotriacontahydro-5H-tripyrrolo[2,1-f:2',1'-r:2'',1''- u][1,4,7,10,13,16,19,22,25]oxaoctaazacyclooctacosine-18,29-diyl]bis(hydroxyacetic acid) | C50H81N11O19

2,2'-[32-{3-[(Diaminomethylene)amino]propyl}-21-hydroxy-11-(1-hydroxyethyl)-26-(hydroxymethyl)-15-(9-methyldecyl)-5,10,13,17,20,25,28,31,34-nonaoxodotriacontahydro-5H-tripyrrolo[2,1-f:2',1'-r:2'',1''- u][1,4,7,10,13,16,19,22,25]oxaoctaazacyclooctacosine-18,29-diyl]bis(hydroxyacetic acid)

  • Molecular FormulaC50H81N11O19
  • Average mass1140.240 Da
  • Monoisotopic mass1139.571045 Da
  • ChemSpider ID78444246

More details:

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

2,2'-[32-{3-[(Diaminomethylen)amino]propyl}-21-hydroxy-11-(1-hydroxyethyl)-26-(hydroxymethyl)-15-(9-methyldecyl)-5,10,13,17,20,25,28,31,34-nonaoxodotriacontahydro-5H-tripyrrolo[2,1-f:2',1'-r:2'',1''-u ][1,4,7,10,13,16,19,22,25]oxaoctaazacyclooctacosin-18,29-diyl]bis(hydroxyessigsäure) [German] [ACD/IUPAC Name]
2,2'-[32-{3-[(Diaminomethylene)amino]propyl}-21-hydroxy-11-(1-hydroxyethyl)-26-(hydroxymethyl)-15-(9-methyldecyl)-5,10,13,17,20,25,28,31,34-nonaoxodotriacontahydro-5H-tripyrrolo[2,1-f:2',1'-r:2'',1''- u][1,4,7,10,13,16,19,22,25]oxaoctaazacyclooctacosine-18,29-diyl]bis(hydroxyacetic acid) [ACD/IUPAC Name]
5H-Tripyrrolo[2,1-f:2',1'-r:2'',1''-u][1,4,7,10,13,16,19,22,25]oxaoctaazacyclooctacosine-18,29-diacetic acid, 32-[3-[(diaminomethylene)amino]propyl]dotriacontahydro-α18,α29,21-trihydroxy-1
 1-(1-hydroxyethyl)-26-(hydroxymethyl)-15-(9-methyldecyl)-5,10,13,17,20,25,28,31,34-nonaoxo- [ACD/Index Name]
Acide 2,2'-[32-{3-[(diaminométhylène)amino]propyl}-21-hydroxy-11-(1-hydroxyéthyl)-26-(hydroxyméthyl)-15-(9-méthyldécyl)-5,10,13,17,20,25,28,31,34-nonaoxodotriacontahydro-5H-tripyrrolo[2,1-f:2',1'-r:2' ',1''-u][1,4,7,10,13,16,19,22,25]oxaoctaazacyclooctacosine-18,29-diyl]bis(hydroxyacétique) [French] [ACD/IUPAC Name]
Tripropeptin B

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.673
Molar Refractivity: 273.0±0.5 cm3
#H bond acceptors: 30
#H bond donors: 16
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 3
ACD/LogP: -7.10
ACD/LogD (pH 5.5): -9.23
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -9.24
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 473 Å2
Polarizability: 108.2±0.5 10-24cm3
Surface Tension: 69.2±7.0 dyne/cm
Molar Volume: 728.1±7.0 cm3

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