ChemSpider 2D Image | Lariatin A | C94H142N26O25

Lariatin A

  • Molecular FormulaC94H142N26O25
  • Average mass2036.292 Da
  • Monoisotopic mass2035.063965 Da
  • ChemSpider ID24628826
  • defined stereocentres - 17 of 17 defined stereocentres


More details:






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

Lariatin A
L-Proline, N-[[(5S,8S,11S,14S,17S,20S,23S)-20-[3-[(aminoiminomethyl)amino]propyl]-8-(3-amino-3-oxopropyl)-5-(hydroxymethyl)-17-[(4-hydroxyphenyl)methyl]-14-(1-methylethyl)-11-(2-methylpropyl)-3,6,9,12 ,15,18,21,26-octaoxo-1,4,7,10,13,16,19,22-octaazacyclohexacos-23-yl]carbonyl]-L-tryptophyl-L-valylglycyl-L-histidyl-L-seryl-L-asparaginyl-L-valyl-L-isoleucyl-L-leucyl- [ACD/Index Name]
N-{[(5S,8S,11S,14S,17S,20S,23S)-8-(3-Amino-3-oxopropyl)-20-(3-carbamimidamidopropyl)-17-(4-hydroxybenzyl)-5-(hydroxymethyl)-11-isobutyl-14-isopropyl-3,6,9,12,15,18,21,26-octaoxo-1,4,7,10,13,16,19,22-o ctaazacyclohexacosan-23-yl]carbonyl}-L-tryptophyl-L-valylglycyl-L-histidyl-L-seryl-L-asparaginyl-L-valyl-L-isoleucyl-L-leucyl-L-prolin [German] [ACD/IUPAC Name]
N-{[(5S,8S,11S,14S,17S,20S,23S)-8-(3-Amino-3-oxopropyl)-20-(3-carbamimidamidopropyl)-17-(4-hydroxybenzyl)-5-(hydroxymethyl)-11-isobutyl-14-isopropyl-3,6,9,12,15,18,21,26-octaoxo-1,4,7,10,13,16,19,22-o ctaazacyclohexacosan-23-yl]carbonyl}-L-tryptophyl-L-valylglycyl-L-histidyl-L-seryl-L-asparaginyl-L-valyl-L-isoleucyl-L-leucyl-L-proline [ACD/IUPAC Name]
N-{[(5S,8S,11S,14S,17S,20S,23S)-8-(3-Amino-3-oxopropyl)-20-(3-carbamimidamidopropyl)-17-(4-hydroxybenzyl)-5-(hydroxyméthyl)-11-isobutyl-14-isopropyl-3,6,9,12,15,18,21,26-octaoxo-1,4,7,10,13,16,19,22-o ctaazacyclohexacosan-23-yl]carbonyl}-L-tryptophyl-L-valylglycyl-L-histidyl-L-séryl-L-asparaginyl-L-valyl-L-isoleucyl-L-leucyl-L-proline [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.670
Molar Refractivity: 515.3±0.5 cm3
#H bond acceptors: 51
#H bond donors: 31
#Freely Rotating Bonds: 47
#Rule of 5 Violations: 3
ACD/LogP: -3.35
ACD/LogD (pH 5.5): -8.07
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.33
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 806 Å2
Polarizability: 204.3±0.5 10-24cm3
Surface Tension: 62.7±7.0 dyne/cm
Molar Volume: 1380.3±7.0 cm3

Click to predict properties on the Chemicalize site


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