ChemSpider 2D Image | (7S,9Z,11S,12R,13S,14R,15R,16R,17S,18S,19Z,21Z)-26-{(E)-[(4-Cyclopentyl-1-piperazinyl)imino]methyl}-2,15,17,27,29-pentahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23-dioxo-8,30-dioxa-24-azatet racyclo[23.3.1.1~4,7~.0~5,28~]triaconta-1(28),2,4,9,19,21,25(29),26-octaen-13-yl acetate | C47H64N4O12

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

  • Molecular FormulaC47H64N4O12
  • Average mass877.031 Da
  • Monoisotopic mass876.452087 Da
  • ChemSpider ID24921428

  • 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)-26-{(E)-[(4-Cyclopentyl-1-piperazinyl)imino]methyl}-2,15,17,27,29-pentahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23-dioxo-8,30-dioxa-24-azatet ;racyclo[23.3.1.14,7.05,28]triaconta-1(28),2,4,9,19,21,25(29),26-octaen-13-yl acetate [ACD/IUPAC Name]
(7S,9Z,11S,12R,13S,14R,15R,16R,17S,18S,19Z,21Z)-26-{(E)-[(4-Cyclopentyl-1-piperazinyl)imino]methyl}-2,15,17,27,29-pentahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23-dioxo-8,30-dioxa-24-azatet ;racyclo[23.3.1.14,7.05,28]triaconta-1(28),2,4,9,19,21,25(29),26-octaen-13-yl-acetat [German] [ACD/IUPAC Name]
2,7-(Epoxy[1,11,13]pentadecatrienoimino)naphtho[2,1-b]furan-1,11(2H)-dione, 21-(acetyloxy)-8-[(E)-[(4-cyclopentyl-1-piperazinyl)imino]methyl]-5,6,9,17,19-pentahydroxy-23-methoxy-2,4,12,16,18,20,22-hep tamethyl-, (2S,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)-26-{(E)-[(4-cyclopentyl-1-pipérazinyl)imino]méthyl}-2,15,17,27,29-pentahydroxy-11-méthoxy-3,7,12,14,16,18,22-heptaméthyl-6,23-dioxo-8,30-diox ;a-24-azatétracyclo[23.3.1.14,7.05,28]triaconta-1(28),2,4,9,19,21,25(29),26-octaén-13-yle [French] [ACD/IUPAC Name]
(2S,12Z,14E,16S,17S,18R,19R,20R,21S,22R,23S,24E)-3-(((4-Cyclopentyl-1-piperazinyl)imino)methyl)-21-(Acetyloxy)-5,6,9,17,19-pentahydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-2,7-(epoxypentadeca[1,11,13]trienimino)naphtho[2,1-b]furan-1,11(2H)-dione
1279038-35-5 [RN]
127923-87-9 [RN]
262-743-9 [EINECS]
61379-65-5 [RN]
Cyclopentyl rifampin
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

DL 473 [DBID]

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 1033.1±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.3 mmHg at 25°C
    Enthalpy of Vaporization: 158.2±3.0 kJ/mol
    Flash Point: 578.6±34.3 °C
    Index of Refraction: 1.625
    Molar Refractivity: 229.1±0.5 cm3
    #H bond acceptors: 16
    #H bond donors: 6
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 3
    ACD/LogP: 2.58
    ACD/LogD (pH 5.5): 0.89
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 5.42
    ACD/LogD (pH 7.4): 0.87
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 5.08
    Polar Surface Area: 220 Å2
    Polarizability: 90.8±0.5 10-24cm3
    Surface Tension: 49.3±7.0 dyne/cm
    Molar Volume: 648.1±7.0 cm3

    Click to predict properties on the Chemicalize site


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