ChemSpider 2D Image | Plecanatide | C65H104N18O26S4

Plecanatide

  • Molecular FormulaC65H104N18O26S4
  • Average mass1681.886 Da
  • Monoisotopic mass1680.625244 Da
  • ChemSpider ID28530494
  • defined stereocentres - 16 of 16 defined stereocentres


More details:






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

467426-54-6 [RN]
L-Asparaginyl-L-α-asparagyl-N-{(1R,4S,7S,10S,13S,16R,19S,22S,25R,32S,38R)-10-(2-amino-2-oxoethyl)-22-(2-carboxyethyl)-38-{[(1S)-1-carboxy-3-methylbutyl]carbamoyl}-32-[(1R)-1-hydroxyethyl]-19-isobu tyl-7,13-diisopropyl-4-methyl-3,6,9,12,15,18,21,24,30,33,36-undecaoxo-27,28,40,41-tetrathia-2,5,8,11,14,17,20,23,31,34,37-undecaazabicyclo[14.13.13]dotetracont-25-yl}-L-α-glutamin [German] [ACD/IUPAC Name]
L-Asparaginyl-L-α-aspartyl-N-{(1R,4S,7S,10S,13S,16R,19S,22S,25R,32S,38R)-10-(2-amino-2-oxoethyl)-22-(2-carboxyethyl)-38-{[(1S)-1-carboxy-3-methylbutyl]carbamoyl}-32-[(1R)-1-hydroxyethyl]-19-isobut yl-7,13-diisopropyl-4-methyl-3,6,9,12,15,18,21,24,30,33,36-undecaoxo-27,28,40,41-tetrathia-2,5,8,11,14,17,20,23,31,34,37-undecaazabicyclo[14.13.13]dotetracont-25-yl}-L-α-glutamine [ACD/IUPAC Name]
L-Asparaginyl-L-α-aspartyl-N-{(1R,4S,7S,10S,13S,16R,19S,22S,25R,32S,38R)-10-(2-amino-2-oxoéthyl)-22-(2-carboxyéthyl)-38-{[(1S)-1-carboxy-3-méthylbutyl]carbamoyl}-32-[(1R)-1-hydroxyéthyl]-19-isobut yl-7,13-diisopropyl-4-méthyl-3,6,9,12,15,18,21,24,30,33,36-undécaoxo-27,28,40,41-tétrathia-2,5,8,11,14,17,20,23,31,34,37-undécaazabicyclo[14.13.13]dotétracont-25-yl}-L-α-glutamine [French] [ACD/IUPAC Name]
L-α-Glutamine, L-asparaginyl-L-α-aspartyl-N-[(1R,4S,7S,10S,13S,16R,19S,22S,25R,32S,38R)-10-(2-amino-2-oxoethyl)-22-(2-carboxyethyl)-38-[[[(1S)-1-carboxy-3-methylbutyl]amino]carbonyl]-32-[(1R)- 1-hydroxyethyl]-4-methyl-7,13-bis(1-methylethyl)-19-(2-methylpropyl)-3,6,9,12,15,18,21,24,30,33,36-undecaoxo-27,28,40,41-tetrathia-2,5,8,11,14,17,20,23,31,34,37-undecaazabicyclo[14.13.13]dotetracont-2 5-yl]- [ACD/Index Name]
plecanatida [Spanish] [INN]
Plecanatide [INN] [USAN]
plécanatide [French] [INN]
plecanatidum [Latin] [INN]
плеканатид [Russian] [INN]
More...

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

SP-304 [DBID]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 2120.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 400.3±6.0 kJ/mol
Flash Point: 1235.9±34.3 °C
Index of Refraction: 1.631
Molar Refractivity: 406.3±0.4 cm3
#H bond acceptors: 44
#H bond donors: 26
#Freely Rotating Bonds: 28
#Rule of 5 Violations: 3
ACD/LogP: -4.45
ACD/LogD (pH 5.5): -10.80
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -12.05
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 819 Å2
Polarizability: 161.1±0.5 10-24cm3
Surface Tension: 83.7±5.0 dyne/cm
Molar Volume: 1141.1±5.0 cm3

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