ChemSpider 2D Image | 1-{[19-Amino-7-(2-amino-2-oxoethyl)-13-sec-butyl-16-(4-hydroxybenzyl)-10-(1-hydroxyethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-4-yl]carbonyl}prolylleucylglycinamide | C42H65N11O12S2

1-{[19-Amino-7-(2-amino-2-oxoethyl)-13-sec-butyl-16-(4-hydroxybenzyl)-10-(1-hydroxyethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-4-yl]carbonyl}prolylleucylglycinamide

  • Molecular FormulaC42H65N11O12S2
  • Average mass980.162 Da
  • Monoisotopic mass979.425537 Da
  • ChemSpider ID56553

More details:






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

1-{[19-Amino-7-(2-amino-2-oxoethyl)-13-sec-butyl-16-(4-hydroxybenzyl)-10-(1-hydroxyethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-4-yl]carbonyl}prolylleucylglycinamid [German] [ACD/IUPAC Name]
1-{[19-Amino-7-(2-amino-2-oxoethyl)-13-sec-butyl-16-(4-hydroxybenzyl)-10-(1-hydroxyethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-4-yl]carbonyl}prolylleucylglycinamide [ACD/IUPAC Name]
1-{[19-Amino-7-(2-amino-2-oxoéthyl)-13-sec-butyl-16-(4-hydroxybenzyl)-10-(1-hydroxyéthyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-4-yl]carbonyl}prolylleucylglycinamide [French] [ACD/IUPAC Name]
Glycinamide, 1-[[19-amino-7-(2-amino-2-oxoethyl)-10-(1-hydroxyethyl)-16-[(4-hydroxyphenyl)methyl]-13-(1-methylpropyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloeicos-4-yl]carbonyl]pro lylleucyl- [ACD/Index Name]
(4-Threonine)oxytocin
26995-91-5 [RN]
27115-19-1 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 1474.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 237.0±3.0 kJ/mol
Flash Point: 845.3±34.3 °C
Index of Refraction: 1.555
Molar Refractivity: 247.3±0.3 cm3
#H bond acceptors: 23
#H bond donors: 15
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 3
ACD/LogP: -3.57
ACD/LogD (pH 5.5): -4.55
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.85
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 427 Å2
Polarizability: 98.1±0.5 10-24cm3
Surface Tension: 51.7±3.0 dyne/cm
Molar Volume: 771.0±3.0 cm3

Click to predict properties on the Chemicalize site





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