ChemSpider 2D Image | gramicidin s | C60H92N12O10

gramicidin s

  • Molecular FormulaC60H92N12O10
  • Average mass1141.447 Da
  • Monoisotopic mass1140.705933 Da
  • ChemSpider ID66085

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

Featured data source
Natural Product Updates

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

113-73-5 [RN]
5H,22H-dipyrrolo[1,2-a:1',2'-p][1,4,7,10,13,16,19,22,25,28]decaazacyclotriacontine-5,22-dione, 12,29-bis(3-aminopropyl)-1,2,3,6,9,12,15,17a,18,19,20,23,26,29,32,34a-hexadecahydro-8,11,14,17,25,28,31,34-octahydroxy-15,32-bis(1-methylethyl)-9,26-bis(2-methylpropyl)-6,23-bis(phenylmethyl)-, (6R,7E,9S,10E,12S,13E,15S,16E,17aS,23R,24E,26S,27E,29S,30E,32S,33E,34aS)-
Cyclo(L-leucyl-D-phenylalanyl-L-prolyl-L-valyl-L-ornithyl-L-leucyl-D-phenylalanyl-L-prolyl-L-valyl-L-ornithyl) [ACD/Index Name] [ACD/IUPAC Name]
Cyclo(L-leucyl-D-phenylalanyl-L-prolyl-L-valyl-L-ornithyl-L-leucyl-D-phenylalanyl-L-prolyl-L-valyl-L-ornithyl) [German] [ACD/Index Name] [ACD/IUPAC Name]
Cyclo(L-leucyl-D-phénylalanyl-L-prolyl-L-valyl-L-ornithyl-L-leucyl-D-phénylalanyl-L-prolyl-L-valyl-L-ornithyl) [French] [ACD/IUPAC Name]
Gramacidine S [French] [INN]
gramicidin s [INN] [Wiki]
Gramicidina S [Spanish] [INN]
Gramicidinum S [Latin]
WHM29QA23F
More...

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

3052 [DBID]
AIDS002002 [DBID]
AIDS-002002 [DBID]
BRN 0605227 [DBID]
C11218 [DBID]
  • Miscellaneous

    • Appearance:

      white powder OU Chemical Safety Data (No longer updated) More details

    • Stability:

      Stable, but may be moisture-sensitive. Incompatible with strong oxidizing agents. OU Chemical Safety Data (No longer updated) More details

    • Safety:

      Safety glasses; treat as potentially harmful. OU Chemical Safety Data (No longer updated) More details

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

Density: 1.2±0.1 g/cm3
Boiling Point: 1394.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 213.1±3.0 kJ/mol
Flash Point: 797.4±34.3 °C
Index of Refraction: 1.596
Molar Refractivity: 312.7±0.4 cm3
#H bond acceptors: 22
#H bond donors: 12
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 3
ACD/LogP: 0.10
ACD/LogD (pH 5.5): -3.80
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.77
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 325 Å2
Polarizability: 124.0±0.5 10-24cm3
Surface Tension: 61.4±5.0 dyne/cm
Molar Volume: 919.6±5.0 cm3

Click to predict properties on the Chemicalize site


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