ChemSpider 2D Image | (7S,9Z,11S,12R,13S,14R,15R,16R,17S,18S,19Z,21Z,23E,26Z)-2,15,17,23,29-Pentahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-26-{[(4-methyl-1-piperazinyl)amino]methylene}-6,27-dioxo-8,30-dioxa-24-azat etracyclo[23.3.1.1~4,7~.0~5,28~]triaconta-1(28),2,4,9,19,21,23,25(29)-octaen-13-yl acetate | C43H58N4O12

(7S,9Z,11S,12R,13S,14R,15R,16R,17S,18S,19Z,21Z,23E,26Z)-2,15,17,23,29-Pentahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-26-{[(4-methyl-1-piperazinyl)amino]methylene}-6,27-dioxo-8,30-dioxa-24-azat etracyclo[23.3.1.14,7.05,28]triaconta-1(28),2,4,9,19,21,23,25(29)-octaen-13-yl acetate

  • Molecular FormulaC43H58N4O12
  • Average mass822.940 Da
  • Monoisotopic mass822.405151 Da
  • ChemSpider ID57643438

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(7S,9Z,11S,12R,13S,14R,15R,16R,17S,18S,19Z,21Z,23E,26Z)-2,15,17,23,29-Pentahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-26-{[(4-methyl-1-piperazinyl)amino]methylen}-6,27-dioxo-8,30-dioxa-24-azate ;tracyclo[23.3.1.14,7.05,28]triaconta-1(28),2,4,9,19,21,23,25(29)-octaen-13-yl-acetat [German] [ACD/IUPAC Name]
(7S,9Z,11S,12R,13S,14R,15R,16R,17S,18S,19Z,21Z,23E,26Z)-2,15,17,23,29-Pentahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-26-{[(4-methyl-1-piperazinyl)amino]methylene}-6,27-dioxo-8,30-dioxa-24-azat ;etracyclo[23.3.1.14,7.05,28]triaconta-1(28),2,4,9,19,21,23,25(29)-octaen-13-yl acetate [ACD/IUPAC Name]
2,7-(Epoxy[1,11,13]pentadecatrien[1]yl[15]ylidenenitrilo)naphtho[2,1-b]furan-1,9(2H,8H)-dione, 21-(acetyloxy)-5,6,11,17,19-pentahydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-8-[[(4-methyl-1-pipera zinyl)amino]methylene]-, (2S,8Z,10E,12Z,14Z,16S,17S,18R,19R,20R,21S,22R,23S,24Z)- [ACD/Index Name]
Acétate de (7S,9Z,11S,12R,13S,14R,15R,16R,17S,18S,19Z,21Z,23E,26Z)-2,15,17,23,29-pentahydroxy-11-méthoxy-3,7,12,14,16,18,22-heptaméthyl-26-{[(4-méthyl-1-pipérazinyl)amino]méthylène}-6,27-dioxo-8,30-di ;oxa-24-azatétracyclo[23.3.1.14,7.05,28]triaconta-1(28),2,4,9,19,21,23,25(29)-octaén-13-yle [French] [ACD/IUPAC Name]
13292-46-1 [RN]
MFCD00151389 [MDL number]
Rifampicin [INN] [JP15] [Wiki]
Rifampin [USP] [Wiki]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 922.8±75.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.3 mmHg at 25°C
    Enthalpy of Vaporization: 140.6±3.0 kJ/mol
    Flash Point: 511.9±37.1 °C
    Index of Refraction: 1.613
    Molar Refractivity: 213.1±0.5 cm3
    #H bond acceptors: 16
    #H bond donors: 6
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 3
    ACD/LogP: 3.21
    ACD/LogD (pH 5.5): 0.24
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 2.08
    ACD/LogD (pH 7.4): -0.02
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.15
    Polar Surface Area: 220 Å2
    Polarizability: 84.5±0.5 10-24cm3
    Surface Tension: 48.0±7.0 dyne/cm
    Molar Volume: 611.7±7.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement