ChemSpider 2D Image | callyaerin F | C58H83N11O10

callyaerin F

  • Molecular FormulaC58H83N11O10
  • Average mass1094.347 Da
  • Monoisotopic mass1093.632446 Da
  • ChemSpider ID27025390

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 10 of 10 defined stereocentres

More details:

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

1-{[(6S,8Z,11aS,17S,20S,22aS)-17-Benzyl-6,20-diisopropyl-5,11,16,19,22-pentaoxo-2,3,6,7,10,11,11a,12,13,14,16,17,18,19,20,21,22,22a-octadecahydro-1H,5H-dipyrrolo[1,2-a:1',2'-j][1,4,7,10,13,16]hexaazac yclooctadecin-9-yl]carbonyl}-L-prolyl-L-leucyl-L-phenylalanyl-L-isoleucinamid [German] [ACD/IUPAC Name]
1-{[(6S,8Z,11aS,17S,20S,22aS)-17-Benzyl-6,20-diisopropyl-5,11,16,19,22-pentaoxo-2,3,6,7,10,11,11a,12,13,14,16,17,18,19,20,21,22,22a-octadecahydro-1H,5H-dipyrrolo[1,2-a:1',2'-j][1,4,7,10,13,16]hexaazac yclooctadecin-9-yl]carbonyl}-L-prolyl-L-leucyl-L-phenylalanyl-L-isoleucinamide [ACD/IUPAC Name]
1-{[(6S,8Z,11aS,17S,20S,22aS)-17-Benzyl-6,20-diisopropyl-5,11,16,19,22-pentaoxo-2,3,6,7,10,11,11a,12,13,14,16,17,18,19,20,21,22,22a-octadécahydro-1H,5H-dipyrrolo[1,2-a:1',2'-j][1,4,7,10,13,16]hexaazac yclooctadécin-9-yl]carbonyl}-L-prolyl-L-leucyl-L-phénylalanyl-L-isoleucinamide [French] [ACD/IUPAC Name]
callyaerin F
L-Isoleucinamide, 1-[[(6S,8Z,11aS,17S,20S,22aS)-2,3,6,7,10,11,11a,12,13,14,16,17,18,19,20,21,22,22a-octadecahydro-6,20-bis(1-methylethyl)-5,11,16,19,22-pentaoxo-17-(phenylmethyl)-1H,5H-dipyrrolo[1,2-a :1',2'-j][1,4,7,10,13,16]hexaazacyclooctadecin-9-yl]carbonyl]-L-prolyl-L-leucyl-L-phenylalanyl- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 1369.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 208.4±3.0 kJ/mol
Flash Point: 781.9±34.3 °C
Index of Refraction: 1.611
Molar Refractivity: 297.7±0.4 cm3
#H bond acceptors: 21
#H bond donors: 9
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 3
ACD/LogP: 1.54
ACD/LogD (pH 5.5): 1.23
ACD/BCF (pH 5.5): 5.04
ACD/KOC (pH 5.5): 110.55
ACD/LogD (pH 7.4): 1.23
ACD/BCF (pH 7.4): 5.05
ACD/KOC (pH 7.4): 110.84
Polar Surface Area: 291 Å2
Polarizability: 118.0±0.5 10-24cm3
Surface Tension: 63.4±5.0 dyne/cm
Molar Volume: 857.1±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement