ChemSpider 2D Image | Urotensin-II | C64H85N13O18S2

Urotensin-II

  • Molecular FormulaC64H85N13O18S2
  • Average mass1388.566 Da
  • Monoisotopic mass1387.557739 Da
  • ChemSpider ID24646295
  • defined stereocentres - 12 of 12 defined stereocentres


More details:






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

L-α-Asparagine, L-α-glutamyl-L-threonyl-L-prolyl-N-[(4R,7S,10S,13S,16S,19R)-10-(4-aminobutyl)-4-[[[(1S)-1-carboxy-2-methylpropyl]amino]carbonyl]-7-[(4-hydroxyphenyl)methyl]-13-(1H-indol-3-ylme thyl)-6,9,12,15,18-pentaoxo-16-(phenylmethyl)-1,2-dithia-5,8,11,14,17-pentaazacycloeicos-19-yl]- [ACD/Index Name]
L-α-Glutamyl-L-threonyl-L-prolyl-N-[(4R,7S,10S,13S,16S,19R)-10-(4-aminobutyl)-16-benzyl-4-{[(1S)-1-carboxy-2-methylpropyl]carbamoyl}-7-(4-hydroxybenzyl)-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-penta oxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-19-yl]-L-α-asparagin [German] [ACD/IUPAC Name]
L-α-Glutamyl-L-threonyl-L-prolyl-N-[(4R,7S,10S,13S,16S,19R)-10-(4-aminobutyl)-16-benzyl-4-{[(1S)-1-carboxy-2-methylpropyl]carbamoyl}-7-(4-hydroxybenzyl)-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-penta oxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-19-yl]-L-α-asparagine [ACD/IUPAC Name]
L-α-Glutamyl-L-thréonyl-L-prolyl-N-[(4R,7S,10S,13S,16S,19R)-10-(4-aminobutyl)-16-benzyl-4-{[(1S)-1-carboxy-2-méthylpropyl]carbamoyl}-7-(4-hydroxybenzyl)-13-(1H-indol-3-ylméthyl)-6,9,12,15,18-penta oxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-19-yl]-L-α-asparagine [French] [ACD/IUPAC Name]
Urotensin-II [Wiki]
251293-28-4 [RN]
Urotensin II (human)

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

Density: 1.5±0.1 g/cm3
Boiling Point: 1760.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 295.5±3.0 kJ/mol
Flash Point: 1018.5±34.3 °C
Index of Refraction: 1.677
Molar Refractivity: 356.3±0.4 cm3
#H bond acceptors: 31
#H bond donors: 19
#Freely Rotating Bonds: 27
#Rule of 5 Violations: 3
ACD/LogP: 2.13
ACD/LogD (pH 5.5): -3.80
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.21
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 553 Å2
Polarizability: 141.2±0.5 10-24cm3
Surface Tension: 87.1±5.0 dyne/cm
Molar Volume: 946.1±5.0 cm3

Click to predict properties on the Chemicalize site


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