ChemSpider 2D Image | Valinomycin | C54H90N6O18

Valinomycin

  • Molecular FormulaC54H90N6O18
  • Average mass1111.322 Da
  • Monoisotopic mass1110.631104 Da
  • ChemSpider ID21493802

  • defined stereocentres - 12 of 12 defined stereocentres

More details:

Featured data source
The Merck Index Online

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

(3R,6R,9S,12S,15R,18R,21S,24S,27R,30R,33S,36S)-3,6,9,15,18,21,27,30,33-Nonaisopropyl-12,24,36-trimethyl-1,7,13,19,25,31-hexaoxa-4,10,16,22,28,34-hexaazacyclohexatriacontan-2,5,8,11,14,17,20,23,26,29,3 2,35-dodecon [German] [ACD/IUPAC Name]
(3R,6R,9S,12S,15R,18R,21S,24S,27R,30R,33S,36S)-3,6,9,15,18,21,27,30,33-Nonaisopropyl-12,24,36-trimethyl-1,7,13,19,25,31-hexaoxa-4,10,16,22,28,34-hexaazacyclohexatriacontane-2,5,8,11,14,17,20,23,26,29, 32,35-dodecone [ACD/IUPAC Name]
(3R,6R,9S,12S,15R,18R,21S,24S,27R,30R,33S,36S)-3,6,9,15,18,21,27,30,33-Nonaisopropyl-12,24,36-triméthyl-1,7,13,19,25,31-hexaoxa-4,10,16,22,28,34-hexaazacyclohexatriacontane-2,5,8,11,14,17,20,23,26,29, 32,35-dodécone [French] [ACD/IUPAC Name]
(3R,6R,9S,12S,15R,18R,21S,24S,27R,30R,33S,36S)-3,6,9,15,18,21,27,30,33-Nonaisopropyl-12,24,36-trimethyl-1,7,13,19,25,31-hexaoxa-4,10,16,22,28,34-hexaazacyclohexatriacontane-2,5,8,11,14,17,20,23,26,29,32,35-dodecone
(3S,6S,9R,12R,15S,18S,21R,24R,27S,30S,33R,36R)-6,18,30-trimethyl-3,9,12,15,21,24,27,33,36-nona(propan-2-yl)-1,7,13,19,25,31-hexaoxa-4,10,16,22,28,34-hexaazacyclohexatriacontane-2,5,8,11,14,17,20,23,26,29,32,35-dodecone
1,7,13,19,25,31-Hexaoxa-4,10,16,22,28,34-hexaazacyclohexatriacontane-2,5,8,11,14,17,20,23,26,29,32,35-dodecone, 6,18,30-trimethyl-3,9,12,15,21,24,27,33,36-nonakis(1-methylethyl)-, (3S,6S,9R,12R,15S,18 S,21R,24R,27S,30S,33R,36R)- [ACD/Index Name]
1,7,13,19,25,31-Hexaoxa-4,10,16,22,28,34-hexaazacyclohexatriacontane-2,5,8,11,14,17,20,23,26,29,32,35-dodecone, 6,18,30-trimethyl-3,9,12,15,21,24,27,33,36-nonakis(1-methylethyl)-, (3S,6S,9R,12R,15S,18S,21R,24R,27S,30S,33R,36R)-
2001-95-8 [RN]
Cyclo(D-a-hydroxyisovaleryl-D-valyl-L-lactoyl-L-valyl-D-a-hydroxyisovaleryl-D-valyl-L-lactoyl-L-valyl-D-a-hydroxyisovaleryl-D-valyl-L-lactoyl-L-valyl)
Cyclo(D-α-hydroxyisovaleryl-D-valyl-L-lactoyl-L-valyl-D-α-hydroxyisovaleryl-D-valyl-L-lactoyl-L-valyl-D-α-hydroxyisovaleryl-D-valyl-L-lactoyl-L-valyl)
More...

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

78657 [DBID]
AIDS017398 [DBID]
NSC122023 [DBID]
UN 2811 [DBID]
UN2811 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Chemical Class:

      A twelve-membered cyclodepsipeptide composed of three repeating <stereo>D</stereo>-<locant>alpha</locant>-hydroxyisovaleryl-<stereo>D</stereo>-valyl-<stereo>L</stereo>-lactoyl-<stereo>L</stereo>-valyl units joined in sequence. An antibiotic found in several <ital>Streptomyces</ital> strains. ChEBI CHEBI:28545
      A twelve-membered cyclodepsipeptide composed of three repeating D-alpha-hydroxyisovaleryl-D-valyl-L-lactoyl-L-valyl; units joined in sequence. An antibiotic found in several Streptomyces strains. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:28545

    • Bio Activity:

      Ion Channels Tocris Bioscience 3373
      Ionophores Tocris Bioscience 3373
      Selective K+ ionophore Tocris Bioscience 3373
      Selective K+ ionophore (K0.5 values are 48, 73, 75, 93 and 246 mM for K+, Rb+, Cs+, Na+ and Li+ respectively) that transports K+ across biological and artificial lipid membranes. Inhibits Ca2+-ATPase activity and induces apoptosis through mitochondrial membrane depolarization, caspase-3 activation and phosphatidylserine translocation in vitro. Tocris Bioscience 3373
      Selective K+ ionophore (K0.5 values are 48, 73, 75, 93 and 246 mM for K+, Rb+, Cs+, Na+ and Li+ respectively) that transports K+ across biological and artificial lipid membranes. Inhibits Ca2+-ATPase activity and induces apoptosis through mitochondrial membrane depolarization, caspase-3 activation and phosphatidylserine translocation in vitro. Tocris Bioscience 3373

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

Density: 1.1±0.1 g/cm3
Boiling Point: 1333.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 202.0±3.0 kJ/mol
Flash Point: 760.5±34.3 °C
Index of Refraction: 1.449
Molar Refractivity: 280.9±0.3 cm3
#H bond acceptors: 24
#H bond donors: 6
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: -2.08
ACD/LogD (pH 5.5): 0.03
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 24.77
ACD/LogD (pH 7.4): 0.03
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 24.77
Polar Surface Area: 332 Å2
Polarizability: 111.3±0.5 10-24cm3
Surface Tension: 31.1±3.0 dyne/cm
Molar Volume: 1048.0±3.0 cm3

Click to predict properties on the Chemicalize site


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