ChemSpider 2D Image | Val4-dDAVP | C46H65N13O11S2

Val4-dDAVP

  • Molecular FormulaC46H65N13O11S2
  • Average mass1040.219 Da
  • Monoisotopic mass1039.436768 Da
  • ChemSpider ID23278682

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

1-{[(4R,7S,10S,13S,16S)-7-(2-Amino-2-oxoethyl)-13-benzyl-16-(4-hydroxybenzyl)-10-isopropyl-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-4-yl]carbonyl}-L-prolyl-D-arginylglycinamid [German] [ACD/IUPAC Name]
1-{[(4R,7S,10S,13S,16S)-7-(2-Amino-2-oxoethyl)-13-benzyl-16-(4-hydroxybenzyl)-10-isopropyl-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-4-yl]carbonyl}-L-prolyl-D-arginylglycinamid e [ACD/IUPAC Name]
1-{[(4R,7S,10S,13S,16S)-7-(2-Amino-2-oxoéthyl)-13-benzyl-16-(4-hydroxybenzyl)-10-isopropyl-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-4-yl]carbonyl}-L-prolyl-D-arginylglycinamid e [French] [ACD/IUPAC Name]
1-{[(4R,7S,10S,13S,16S)-7-(2-amino-2-oxoethyl)-13-benzyl-16-(4-hydroxybenzyl)-6,9,12,15,18-pentaoxo-10-(propan-2-yl)-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-4-yl]carbonyl}-L-prolyl-D-arginylglycinamide
Glycinamide, 1-[[(4R,7S,10S,13S,16S)-7-(2-amino-2-oxoethyl)-16-[(4-hydroxyphenyl)methyl]-10-(1-methylethyl)-6,9,12,15,18-pentaoxo-13-(phenylmethyl)-1,2-dithia-5,8,11,14,17-pentaazacycloeicos-4-yl]carb onyl]-L-prolyl-D-arginyl- [ACD/Index Name]
glycinamide, 1-[[(4R,7S,10S,13S,16S)-7-(2-amino-2-oxoethyl)-16-[(4-hydroxyphenyl)methyl]-10-(1-methylethyl)-6,9,12,15,18-pentaoxo-13-(phenylmethyl)-1,2-dithia-5,8,11,14,17-pentaazacycloeicos-4-yl]carbonyl]-L-prolyl-D-arginyl-
MFCD00080166
Val4-dDAVP
(2S)-N-[(2R)-1-[(2-amino-2-oxoethyl)amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-1-[(4R,7S,10S,13S,16S)-7-(2-amino-2-oxoethyl)-13-benzyl-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-10-propan-2-yl-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]pyrrolidine-2-carboxamide
(Deamino-Cys1,Val4,D-Arg8)-Vasopressin
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.5±0.1 g/cm3
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.697
    Molar Refractivity: 265.0±0.5 cm3
    #H bond acceptors: 24
    #H bond donors: 16
    #Freely Rotating Bonds: 18
    #Rule of 5 Violations: 3
    ACD/LogP: -3.55
    ACD/LogD (pH 5.5): -5.33
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -5.33
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 443 Å2
    Polarizability: 105.1±0.5 10-24cm3
    Surface Tension: 68.2±7.0 dyne/cm
    Molar Volume: 688.4±7.0 cm3

    Click to predict properties on the Chemicalize site


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