ChemSpider 2D Image | (4R)-1-{[(3S,6R,11R,14S,17S,22aS)-11-Amino-3-(2-amino-2-oxoethyl)-17-benzyl-14-(4-hydroxybenzyl)-1,4,12,15,18-pentaoxooctadecahydro-1H,10H-pyrrolo[2,1-j][1,2,5,8,11,14,17]dithiapentaazacycloicosin-6-y
l]carbonyl}-4-hydroxy-L-prolyl-L-arginylglycinamide | C46H64N14O12S2

(4R)-1-{[(3S,6R,11R,14S,17S,22aS)-11-Amino-3-(2-amino-2-oxoethyl)-17-benzyl-14-(4-hydroxybenzyl)-1,4,12,15,18-pentaoxooctadecahydro-1H,10H-pyrrolo[2,1-j][1,2,5,8,11,14,17]dithiapentaazacycloicosin-6-y l]carbonyl}-4-hydroxy-L-prolyl-L-arginylglycinamide

  • Molecular FormulaC46H64N14O12S2
  • Average mass1069.217 Da
  • Monoisotopic mass1068.427002 Da
  • ChemSpider ID77431529
  • defined stereocentres - 9 of 9 defined stereocentres


More details:






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

(4R)-1-{[(3S,6R,11R,14S,17S,22aS)-11-Amino-3-(2-amino-2-oxoethyl)-17-benzyl-14-(4-hydroxybenzyl)-1,4,12,15,18-pentaoxooctadecahydro-1H,10H-pyrrolo[2,1-j][1,2,5,8,11,14,17]dithiapentaazacycloicosin-6-y l]carbonyl}-4-hydroxy-L-prolyl-L-arginylglycinamid [German] [ACD/IUPAC Name]
(4R)-1-{[(3S,6R,11R,14S,17S,22aS)-11-Amino-3-(2-amino-2-oxoethyl)-17-benzyl-14-(4-hydroxybenzyl)-1,4,12,15,18-pentaoxooctadecahydro-1H,10H-pyrrolo[2,1-j][1,2,5,8,11,14,17]dithiapentaazacycloicosin-6-y l]carbonyl}-4-hydroxy-L-prolyl-L-arginylglycinamide [ACD/IUPAC Name]
(4R)-1-{[(3S,6R,11R,14S,17S,22aS)-11-Amino-3-(2-amino-2-oxoéthyl)-17-benzyl-14-(4-hydroxybenzyl)-1,4,12,15,18-pentaoxooctadécahydro-1H,10H-pyrrolo[2,1-j][1,2,5,8,11,14,17]dithiapentaazacycloicosin-6-y l]carbonyl}-4-hydroxy-L-prolyl-L-arginylglycinamide [French] [ACD/IUPAC Name]
Glycinamide, (4R)-1-[[(3S,6R,11R,14S,17S,22aS)-11-amino-3-(2-amino-2-oxoethyl)octadecahydro-14-[(4-hydroxyphenyl)methyl]-1,4,12,15,18-pentaoxo-17-(phenylmethyl)-1H,10H-pyrrolo[2,1-j][1,2,5,8,11,14,17] dithiapentaazacycloeicosin-6-yl]carbonyl]-4-hydroxy-L-prolyl-L-arginyl- [ACD/Index Name]
112953-10-3 [RN]
Argipressin, pro(4)-hydroxy-pro(7)-

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: 1.739
Molar Refractivity: 266.5±0.5 cm3
#H bond acceptors: 26
#H bond donors: 18
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 3
ACD/LogP: -7.31
ACD/LogD (pH 5.5): -9.47
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -8.78
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 480 Å2
Polarizability: 105.7±0.5 10-24cm3
Surface Tension: 78.0±7.0 dyne/cm
Molar Volume: 661.5±7.0 cm3

Click to predict properties on the Chemicalize site






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