ChemSpider 2D Image | Valinomycin | C54H90N6O18

Valinomycin

  • Molecular FormulaC54H90N6O18
  • Average mass1111.322 Da
  • Monoisotopic mass1110.631104 Da
  • ChemSpider ID389933

  • defined stereocentres - 11 of 12 defined stereocentres

More details:

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

(3R,6R,9S,12S,15R,18R,21S,24S,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-2,5,8,11,14,17,20,23,26,29,32,35 -dodecon [German] [ACD/IUPAC Name]
(3R,6R,9S,12S,15R,18R,21S,24S,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-2,5,8,11,14,17,20,23,26,29,32,3 5-dodecone [ACD/IUPAC Name]
(3R,6R,9S,12S,15R,18R,21S,24S,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-2,5,8,11,14,17,20,23,26,29,32,3 5-dodécone [French] [ACD/IUPAC Name]
(3R,6R,9S,12S,15R,18R,21S,24S,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
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,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,36R)-
Valinomycin [Wiki]
[2001-95-8] [RN]
217-896-6 [EINECS]
MFCD00005114
More...

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

C06684 [DBID]

    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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