ChemSpider 2D Image | 1-{[19-Amino-7-(2-amino-2-oxoethyl)-13-sec-butyl-16-(4-hydroxybenzyl)-10-(hydroxymethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-4-yl]carbonyl}prolylisoleucylglycinamide | C41H63N11O12S2

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

  • Molecular FormulaC41H63N11O12S2
  • Average mass966.135 Da
  • Monoisotopic mass965.409912 Da
  • ChemSpider ID2524261

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-(hydroxymethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-4-yl]carbonyl}prolylisoleucylglycinamid [German] [ACD/IUPAC Name]
1-{[19-Amino-7-(2-amino-2-oxoethyl)-13-sec-butyl-16-(4-hydroxybenzyl)-10-(hydroxymethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-4-yl]carbonyl}prolylisoleucylglycinamide [ACD/IUPAC Name]
1-{[19-Amino-7-(2-amino-2-oxoéthyl)-13-sec-butyl-16-(4-hydroxybenzyl)-10-(hydroxyméthyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-4-yl]carbonyl}prolylisoleucylglycinamide [French] [ACD/IUPAC Name]
Glycinamide, 1-[[19-amino-7-(2-amino-2-oxoethyl)-10-(hydroxymethyl)-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]prol ylisoleucyl- [ACD/Index Name]
[4-Serine,8-Isoleucine]Oxytocin
[Ser4, Ile8]Oxytocin
[Ser4, Ile8]-Oxytocin
1-{[(4R,7S,10S,16S,19R)-19-AMINO-7-(2-AMINO-2-OXOETHYL)-13-[(2S)-BUTAN-2-YL]-16-(4-HYDROXYBENZYL)-10-(HYDROXYMETHYL)-6,9,12,15,18-PENTAOXO-1,2-DITHIA-5,8,11,14,17-PENTAAZACYCLOICOSAN-4-YL]CARBONYL}-L-PROLYL-L-ISOLEUCYLGLYCINAMIDE
5671-92-1 [RN]
Isotocin

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

I6131_SIGMA [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 1483.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 238.8±3.0 kJ/mol
Flash Point: 850.9±34.3 °C
Index of Refraction: 1.555
Molar Refractivity: 242.8±0.3 cm3
#H bond acceptors: 23
#H bond donors: 15
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 3
ACD/LogP: -3.92
ACD/LogD (pH 5.5): -4.85
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.15
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 427 Å2
Polarizability: 96.3±0.5 10-24cm3
Surface Tension: 51.8±3.0 dyne/cm
Molar Volume: 756.4±3.0 cm3

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