ChemSpider 2D Image | CHETOMIN | C31H30N6O6S4

CHETOMIN

  • Molecular FormulaC31H30N6O6S4
  • Average mass710.867 Da
  • Monoisotopic mass710.110962 Da
  • ChemSpider ID8592811

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(1S,3S,11R,14S)-14-(Hydroxymethyl)-3-(3-{[(1S,4S)-4-(hydroxymethyl)-5,7-dimethyl-6,8-dioxo-2,3-dithia-5,7-diazabicyclo[2.2.2]oct-1-yl]methyl}-1H-indol-1-yl)-18-methyl-15,16-dithia-10,12,18-triazapenta ;cyclo[12.2.2.01,12.03,11.04,9]octadeca-4,6,8-trien-13,17-dion [German] [ACD/IUPAC Name]
(1S,3S,11R,14S)-14-(Hydroxymethyl)-3-(3-{[(1S,4S)-4-(hydroxymethyl)-5,7-dimethyl-6,8-dioxo-2,3-dithia-5,7-diazabicyclo[2.2.2]oct-1-yl]methyl}-1H-indol-1-yl)-18-methyl-15,16-dithia-10,12,18-triazapenta ;cyclo[12.2.2.01,12.03,11.04,9]octadeca-4,6,8-triene-13,17-dione [ACD/IUPAC Name]
(1S,3S,11R,14S)-14-(Hydroxyméthyl)-3-(3-{[(1S,4S)-4-(hydroxyméthyl)-5,7-diméthyl-6,8-dioxo-2,3-dithia-5,7-diazabicyclo[2.2.2]oct-1-yl]méthyl}-1H-indol-1-yl)-18-méthyl-15,16-dithia-10,12,18-triazapenta ;cyclo[12.2.2.01,12.03,11.04,9]octadéca-4,6,8-triène-13,17-dione [French] [ACD/IUPAC Name]
(1S,3S,11R,14S)-14-(Hydroxymethyl)-3-(3-{[(1S,4S)-4-(hydroxymethyl)-5,7-dimethyl-6,8-dioxo-2,3-dithia-5,7-diazabicyclo[2.2.2]oct-1-yl]methyl}-1H-indol-1-yl)-18-methyl-15,16-dithia-10,12,18-triazapentacyclo[12.2.2.01,12.03,11.04,9]octadeca-4,6,8-triene-13,17-dione
1403-36-7 [RN]
3,11a-(Iminomethano)-11aH-[1,2,4]dithiazino[4',3':1,5]pyrrolo[2,3-b]indole-4,12(3H)-dione, 5a,6,10b,11-tetrahydro-3-(hydroxymethyl)-10b-[3-[[(1S,4S)-4-(hydroxymethyl)-5,7-dimethyl-6,8-dioxo-2,3-dithia -5,7-diazabicyclo[2.2.2]oct-1-yl]methyl]-1H-indol-1-yl]-13-methyl-, (3S,5aR,10bS,11aS)- [ACD/Index Name]
3,11a-(Iminomethano)-11aH-[1,2,4]dithiazino[4',3':1,5]pyrrolo[2,3-b]indole-4,12(3H)-dione, 5a,6,10b,11-tetrahydro-3-(hydroxymethyl)-10b-[3-[[(1S,4S)-4-(hydroxymethyl)-5,7-dimethyl-6,8-dioxo-2,3-dithia-5,7-diazabicyclo[2.2.2]oct-1-yl]methyl]-1H-indol-1-yl]-13-methyl-, (3S,5aR,10bS,11aS)-
Chaetomin
CHETOMIN
(3S,5aR,10bS,11aS)-2,3,5a,6,10b,11-hexahydro-3-(hydroxymethyl)-10b-(3-[(1S,4S)-3-[[4-(hydroxymethyl)-5,7-dimethyl-6,8-dioxo-2,3-dithia-5,7-diazabicyclo[2.2.2]oct-1-yl)methyl]-1H-indol-1-yl]-2-methyl-3
More...

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

    Density: 1.8±0.1 g/cm3
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.889
    Molar Refractivity: 183.8±0.5 cm3
    #H bond acceptors: 12
    #H bond donors: 3
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 2
    ACD/LogP: 4.37
    ACD/LogD (pH 5.5): 3.64
    ACD/BCF (pH 5.5): 341.20
    ACD/KOC (pH 5.5): 2263.05
    ACD/LogD (pH 7.4): 3.64
    ACD/BCF (pH 7.4): 341.30
    ACD/KOC (pH 7.4): 2263.74
    Polar Surface Area: 240 Å2
    Polarizability: 72.9±0.5 10-24cm3
    Surface Tension: 91.6±7.0 dyne/cm
    Molar Volume: 398.3±7.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement