ChemSpider 2D Image | (5S,9S,11S,12R)-11-[(2S)-2-Butanyl]-1-(9H-fluoren-9-yl)-5,9-diisopropyl-12-methoxy-4,10-dimethyl-3,6,8-trioxo-2-oxa-4,7,10-triazatetradecan-14-oic acid (non-preferred name) | C36H51N3O7

(5S,9S,11S,12R)-11-[(2S)-2-Butanyl]-1-(9H-fluoren-9-yl)-5,9-diisopropyl-12-methoxy-4,10-dimethyl-3,6,8-trioxo-2-oxa-4,7,10-triazatetradecan-14-oic acid (non-preferred name)

  • Molecular FormulaC36H51N3O7
  • Average mass637.806 Da
  • Monoisotopic mass637.372681 Da
  • ChemSpider ID58790110

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(5S,9S,11S,12R)-11-[(2S)-2-Butanyl]-1-(9H-fluoren-9-yl)-5,9-diisopropyl-12-methoxy-4,10-dimethyl-3,6,8-trioxo-2-oxa-4,7,10-triazatetradecan-14-oic acid (non-preferred name) [ACD/IUPAC Name]
(5S,9S,11S,12R)-11-[(2S)-2-Butanyl]-1-(9H-fluoren-9-yl)-5,9-diisopropyl-12-methoxy-4,10-dimethyl-3,6,8-trioxo-2-oxa-4,7,10-triazatetradecan-14-säure (non-preferred name) [German] [ACD/IUPAC Name]
2-Oxa-4,7,10-triazatetradecan-14-oic acid, 1-(9H-fluoren-9-yl)-12-methoxy-4,10-dimethyl-5,9-bis(1-methylethyl)-11-[(1S)-1-methylpropyl]-3,6,8-trioxo-, (5S,9S,11S,12R)- [ACD/Index Name]
Acide (5S,9S,11S,12R)-11-[(2S)-2-butanyl]-1-(9H-fluorén-9-yl)-5,9-diisopropyl-12-méthoxy-4,10-diméthyl-3,6,8-trioxo-2-oxa-4,7,10-triazatétradécan-14-oïque (non-preferred name) [French] [ACD/IUPAC Name]
(5s,8s,11s,12r)-11-((s)-sec-butyl)-1-(9h-fluoren-9-yl)-5,8-diisopropyl-12-methoxy-4,10-dimethyl-3,6,9-trioxo-2-oxa-4,7,10-triazatetradecan-14-oic acid
(5S,9S,11S,12R)-11-((S)-sec-butyl)-1-(9H-fluoren-9-yl)-5,9-diisopropyl-12-methoxy-4,10-dimethyl-3,6,8-trioxo-2-oxa-4,7,10-triazatetradecan-14-oic acid
863971-44-2 [RN]
Fmoc-3vvd-OH
fmoc-meval-val-dolaisoleucine-oh
MFCD28167925
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.1±0.1 g/cm3
    Boiling Point: 755.4±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.7 mmHg at 25°C
    Enthalpy of Vaporization: 115.5±3.0 kJ/mol
    Flash Point: 410.7±32.9 °C
    Index of Refraction: 1.545
    Molar Refractivity: 176.3±0.3 cm3
    #H bond acceptors: 10
    #H bond donors: 2
    #Freely Rotating Bonds: 16
    #Rule of 5 Violations: 3
    ACD/LogP: 6.18
    ACD/LogD (pH 5.5): 4.05
    ACD/BCF (pH 5.5): 240.86
    ACD/KOC (pH 5.5): 499.81
    ACD/LogD (pH 7.4): 2.90
    ACD/BCF (pH 7.4): 17.27
    ACD/KOC (pH 7.4): 35.84
    Polar Surface Area: 125 Å2
    Polarizability: 69.9±0.5 10-24cm3
    Surface Tension: 45.1±3.0 dyne/cm
    Molar Volume: 557.2±3.0 cm3

    Click to predict properties on the Chemicalize site


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