ChemSpider 2D Image | Rifampicin quinone | C43H56N4O12

Rifampicin quinone

  • Molecular FormulaC43H56N4O12
  • Average mass820.924 Da
  • Monoisotopic mass820.389465 Da
  • ChemSpider ID24534100

  • 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,9E,11S,12R,13S,14R,15R,16R,17S,18S,19E,21Z)-2,15,17-Trihydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-26-{(E)-[(4-methyl-1-piperazinyl)imino]methyl}-6,23,27,29-tetraoxo-8,30-dioxa-24-azatetracy ;clo[23.3.1.14,7.05,28]triaconta-1(28),2,4,9,19,21,25-heptaen-13-yl acetate [ACD/IUPAC Name]
(7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,19E,21Z)-2,15,17-Trihydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-26-{(E)-[(4-methyl-1-piperazinyl)imino]methyl}-6,23,27,29-tetraoxo-8,30-dioxa-24-azatetracy ;clo[23.3.1.14,7.05,28]triaconta-1(28),2,4,9,19,21,25-heptaen-13-yl-acetat [German] [ACD/IUPAC Name]
(7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,19E,21Z)-2,15,17-Trihydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-26-{(E)-[(4-methylpiperazin-1-yl)imino]methyl}-6,23,27,29-tetraoxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(28),2,4,9,19,21,25-heptaen-13-yl acetate
13983-13-6 [RN]
2,7-(Epoxy[1,11,13]pentadecatrienoimino)naphtho[2,1-b]furan-1,6,9,11(2H)-tetrone, 21-(acetyloxy)-5,17,19-trihydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-8-[(E)-[(4-methyl-1-piperazinyl)imino]meth yl]-, (2S,12Z,14E,16S,17S,18R,19R,20R,21S,22R,23S,24E)- [ACD/Index Name]
2,7-(epoxy[1,11,13]pentadecatrienoimino)naphtho[2,1-b]furan-1,6,9,11(2H)-tetrone, 21-(acetyloxy)-5,17,19-trihydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-8-[(E)-[(4-methyl-1-piperazinyl)imino]methyl]-, (2S,12Z,14E,16S,17S,18R,19R,20R,21S,22R,23S,24E)-
Acétate de (7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,19E,21Z)-2,15,17-trihydroxy-11-méthoxy-3,7,12,14,16,18,22-heptaméthyl-26-{(E)-[(4-méthyl-1-pipérazinyl)imino]méthyl}-6,23,27,29-tétraoxo-8,30-dioxa-24 ;-azatétracyclo[23.3.1.14,7.05,28]triaconta-1(28),2,4,9,19,21,25-heptaén-13-yle [French] [ACD/IUPAC Name]
Rifampicin quinone
[13983-13-6] [RN]
151947-48-7 [RN]
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.613
Molar Refractivity: 213.1±0.5 cm3
#H bond acceptors: 16
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 1.84
ACD/LogD (pH 5.5): 0.50
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.22
ACD/LogD (pH 7.4): 0.24
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.76
Polar Surface Area: 214 Å2
Polarizability: 84.5±0.5 10-24cm3
Surface Tension: 48.0±7.0 dyne/cm
Molar Volume: 611.7±7.0 cm3

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