ChemSpider 2D Image | lanreotide | C54H69N11O10S2

lanreotide

  • Molecular FormulaC54H69N11O10S2
  • Average mass1096.323 Da
  • Monoisotopic mass1095.467041 Da
  • ChemSpider ID5293228

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(4R,7S,10S,13R,16S,19R)-10-(4-Aminobutyl)-N-[(2S,3R)-1-amino-3-hydroxy-1-oxo-2-butanyl]-16-(4-hydroxybenzyl)-13-(1H-indol-3-ylmethyl)-7-isopropyl-19-{[3-(2-naphthyl)-D-alanyl]amino}-6,9,12,15,18-penta oxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-4-carboxamid [German] [ACD/IUPAC Name]
(4R,7S,10S,13R,16S,19R)-10-(4-Aminobutyl)-N-[(2S,3R)-1-amino-3-hydroxy-1-oxo-2-butanyl]-16-(4-hydroxybenzyl)-13-(1H-indol-3-ylmethyl)-7-isopropyl-19-{[3-(2-naphthyl)-D-alanyl]amino}-6,9,12,15,18-penta oxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosane-4-carboxamide [ACD/IUPAC Name]
(4R,7S,10S,13R,16S,19R)-10-(4-Aminobutyl)-N-[(2S,3R)-1-amino-3-hydroxy-1-oxo-2-butanyl]-16-(4-hydroxybenzyl)-13-(1H-indol-3-ylméthyl)-7-isopropyl-19-{[3-(2-naphtyl)-D-alanyl]amino}-6,9,12,15,18-pentao xo-1,2-dithia-5,8,11,14,17-pentaazacycloicosane-4-carboxamide [French] [ACD/IUPAC Name]
1,2-Dithia-5,8,11,14,17-pentaazacycloeicosane-4-carboxamide, 10-(4-aminobutyl)-N-[(1S,2R)-1-(aminocarbonyl)-2-hydroxypropyl]-19-[[(2R)-2-amino-3-(2-naphthalenyl)-1-oxopropyl]amino]-16-[(4-hydroxypheny l)methyl]-13-(1H-indol-3-ylmethyl)-7-(1-methylethyl)-6,9,12,15,18-pentaoxo-, (4R,7S,10S,13R,16S,19R)- [ACD/Index Name]
108736-35-2 [RN]
lanreotida [Spanish] [INN]
lanreotide [INN] [Wiki]
lanréotide [French] [INN]
lanreotidum [Latin] [INN]
Laromustine [INN] [USAN]
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.4±0.1 g/cm3
    Boiling Point: 1508.2±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.3 mmHg at 25°C
    Enthalpy of Vaporization: 243.7±3.0 kJ/mol
    Flash Point: 865.9±34.3 °C
    Index of Refraction: 1.689
    Molar Refractivity: 298.3±0.4 cm3
    #H bond acceptors: 21
    #H bond donors: 16
    #Freely Rotating Bonds: 21
    #Rule of 5 Violations: 3
    ACD/LogP: 2.89
    ACD/LogD (pH 5.5): -1.05
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -0.29
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 406 Å2
    Polarizability: 118.3±0.5 10-24cm3
    Surface Tension: 80.6±5.0 dyne/cm
    Molar Volume: 781.0±5.0 cm3

    Click to predict properties on the Chemicalize site


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