ChemSpider 2D Image | 1-({(4R,7S,10S,13S,16S,19R)-19-Amino-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-16-(4-hydroxybenzyl)-6,9,12,15,18-pentaoxo-13-[(~2~H_5_)phenylmethyl]-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-4
-yl}carbonyl)-L-prolyl-L-arginylglycinamide | C46H60D5N15O12S2

1-({(4R,7S,10S,13S,16S,19R)-19-Amino-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-16-(4-hydroxybenzyl)-6,9,12,15,18-pentaoxo-13-[(2H5)phenylmethyl]-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-4 -yl}carbonyl)-L-prolyl-L-arginylglycinamide

  • Molecular FormulaC46H60D5N15O12S2
  • Average mass1089.262 Da
  • Monoisotopic mass1088.469238 Da
  • ChemSpider ID48059469
  • defined stereocentres - 8 of 8 defined stereocentres

    Non-standard isotope - Non-standard isotope


More details:






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

1-({(4R,7S,10S,13S,16S,19R)-19-Amino-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-16-(4-hydroxybenzyl)-6,9,12,15,18-pentaoxo-13-[(2H5)phenylmethyl]-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-4 -yl}carbonyl)-L-prolyl-L-arginylglycinamid [German] [ACD/IUPAC Name]
1-({(4R,7S,10S,13S,16S,19R)-19-Amino-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-16-(4-hydroxybenzyl)-6,9,12,15,18-pentaoxo-13-[(2H5)phenylmethyl]-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-4 -yl}carbonyl)-L-prolyl-L-arginylglycinamide [ACD/IUPAC Name]
1-({(4R,7S,10S,13S,16S,19R)-19-Amino-7-(2-amino-2-oxoéthyl)-10-(3-amino-3-oxopropyl)-16-(4-hydroxybenzyl)-6,9,12,15,18-pentaoxo-13-[(2H5)phénylméthyl]-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-4 -yl}carbonyl)-L-prolyl-L-arginylglycinamide [French] [ACD/IUPAC Name]
Glycinamide, 1-[[(4R,7S,10S,13S,16S,19R)-19-amino-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-13-(phenyl-d5-methyl)-1,2-dithia-5,8,11,14,17-pen taazacycloeicos-4-yl]carbonyl]-L-prolyl-L-arginyl- [ACD/Index Name]
(2S)-1-[(4R,7S,10S,13S,16S,19R)-19-amino-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-13-[(2,3,4,5,6-pentadeuteriophenyl)methyl]-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]pyrrolidine-2-carboxamide
1356383-11-3 [RN]
arginine vasopressin-d5

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.724
Molar Refractivity: 270.1±0.5 cm3
#H bond acceptors: 27
#H bond donors: 20
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 3
ACD/LogP: -6.49
ACD/LogD (pH 5.5): -9.04
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -8.35
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 512 Å2
Polarizability: 107.1±0.5 10-24cm3
Surface Tension: 76.6±7.0 dyne/cm
Molar Volume: 680.7±7.0 cm3

Click to predict properties on the Chemicalize site






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