ChemSpider 2D Image | callyaerin M | C64H95N15O15

callyaerin M

  • Molecular FormulaC64H95N15O15
  • Average mass1314.531 Da
  • Monoisotopic mass1313.713257 Da
  • ChemSpider ID40256540

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 11 of 12 defined stereocentres

More details:

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

1-({(3aS,8aS,11S,14Z,17S,21R,22aS,25S,28S)-21-Hydroxy-25,28-diisobutyl-11-isopropyl-17-[(Z)-(5-methoxy-2-oxo-4-imidazolidinyliden)methyl]-4,9,12,18,23,26,29-heptaoxo-2,3,3a,4,6,7,8,8a,9,10,11,12,13,16 ,17,18,21,22,22a,23,24,25,26,27,28,29-hexacosahydro-1H,20H-tripyrrolo[1,2-a:1',2'-d:1'',2''-p][1,4,7,10,13,16,19,22]octaazacyclotetracosin-14-yl}carbonyl)-L-prolyl-L-leucyl-L-phenylalanylglycinamid [German] [ACD/IUPAC Name]
1-({(3aS,8aS,11S,14Z,17S,21R,22aS,25S,28S)-21-Hydroxy-25,28-diisobutyl-11-isopropyl-17-[(Z)-(5-methoxy-2-oxo-4-imidazolidinylidene)methyl]-4,9,12,18,23,26,29-heptaoxo-2,3,3a,4,6,7,8,8a,9,10,11,12,13,1 6,17,18,21,22,22a,23,24,25,26,27,28,29-hexacosahydro-1H,20H-tripyrrolo[1,2-a:1',2'-d:1'',2''-p][1,4,7,10,13,16,19,22]octaazacyclotetracosin-14-yl}carbonyl)-L-prolyl-L-leucyl-L-phenylalanylglycinamide [ACD/IUPAC Name]
1-({(3aS,8aS,11S,14Z,17S,21R,22aS,25S,28S)-21-Hydroxy-25,28-diisobutyl-11-isopropyl-17-[(Z)-(5-méthoxy-2-oxo-4-imidazolidinylidène)méthyl]-4,9,12,18,23,26,29-heptaoxo-2,3,3a,4,6,7,8,8a,9,10,11,12,13,1 6,17,18,21,22,22a,23,24,25,26,27,28,29-hexacosahydro-1H,20H-tripyrrolo[1,2-a:1',2'-d:1'',2''-p][1,4,7,10,13,16,19,22]octaazacyclotétracosin-14-yl}carbonyl)-L-prolyl-L-leucyl-L-phénylalanylglycinamide [French] [ACD/IUPAC Name]
callyaerin M
Glycinamide, 1-[[(3aS,8aS,11S,14Z,17S,21R,22aS,25S,28S)-2,3,3a,4,6,7,8,8a,9,10,11,12,13,16,17,18,21,22,22a,23,24,25,26,27,28,29-hexacosahydro-21-hydroxy-17-[(Z)-(5-methoxy-2-oxo-4-imidazolidinylidene) methyl]-11-(1-methylethyl)-25,28-bis(2-methylpropyl)-4,9,12,18,23,26,29-heptaoxo-1H,20H-tripyrrolo[1,2-a:1',2'-d:1'',2''-p][1,4,7,10,13,16,19,22]octaazacyclotetracosin-14-yl]carbonyl]-L-prolyl-L-leucy l-L-phenylalanyl- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.625
Molar Refractivity: 342.5±0.4 cm3
#H bond acceptors: 30
#H bond donors: 13
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 3
ACD/LogP: -3.46
ACD/LogD (pH 5.5): -3.48
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.48
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 411 Å2
Polarizability: 135.8±0.5 10-24cm3
Surface Tension: 70.7±5.0 dyne/cm
Molar Volume: 968.5±5.0 cm3

Click to predict properties on the Chemicalize site


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