ChemSpider 2D Image | (7S,9E,11S,12S,13S,14S,15R,16R,17S,18S,26E)-26-{[(4-Cyclopentyl-1-piperazinyl)amino]methylene}-2,15,17,29-tetrahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23,27-trioxo-8,30-dioxa-24-azatetracy clo[23.3.1.1~4,7~.0~5,28~]triaconta-1(28),2,4,9,19,21,25(29)-heptaen-13-yl acetate | C47H64N4O12

(7S,9E,11S,12S,13S,14S,15R,16R,17S,18S,26E)-26-{[(4-Cyclopentyl-1-piperazinyl)amino]methylene}-2,15,17,29-tetrahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23,27-trioxo-8,30-dioxa-24-azatetracy clo[23.3.1.14,7.05,28]triaconta-1(28),2,4,9,19,21,25(29)-heptaen-13-yl acetate

  • Molecular FormulaC47H64N4O12
  • Average mass877.031 Da
  • Monoisotopic mass876.452087 Da
  • ChemSpider ID4883449

  • 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,12S,13S,14S,15R,16R,17S,18S,26E)-26-{[(4-Cyclopentyl-1-piperazinyl)amino]methylen}-2,15,17,29-tetrahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23,27-trioxo-8,30-dioxa-24-azatetracyc ;lo[23.3.1.14,7.05,28]triaconta-1(28),2,4,9,19,21,25(29)-heptaen-13-yl-acetat [German] [ACD/IUPAC Name]
(7S,9E,11S,12S,13S,14S,15R,16R,17S,18S,26E)-26-{[(4-Cyclopentyl-1-piperazinyl)amino]methylene}-2,15,17,29-tetrahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23,27-trioxo-8,30-dioxa-24-azatetracy ;clo[23.3.1.14,7.05,28]triaconta-1(28),2,4,9,19,21,25(29)-heptaen-13-yl acetate [ACD/IUPAC Name]
2,7-(Epoxy[1,11,13]pentadecatrienoimino)naphtho[2,1-b]furan-1,9,11(2H,8H)-trione, 21-(acetyloxy)-8-[[(4-cyclopentyl-1-piperazinyl)amino]methylene]-5,6,17,19-tetrahydroxy-23-methoxy-2,4,12,16,18,20,22- heptamethyl-, (2S,8E,16S,17S,18R,19R,20S,21S,22S,23S,24E)- [ACD/Index Name]
Acétate de (7S,9E,11S,12S,13S,14S,15R,16R,17S,18S,26E)-26-{[(4-cyclopentyl-1-pipérazinyl)amino]méthylène}-2,15,17,29-tétrahydroxy-11-méthoxy-3,7,12,14,16,18,22-heptaméthyl-6,23,27-trioxo-8,30-dioxa-24 ;-azatétracyclo[23.3.1.14,7.05,28]triaconta-1(28),2,4,9,19,21,25(29)-heptaén-13-yle [French] [ACD/IUPAC Name]
(2R,16S,17R,18R,19R,20S,21S,22S,23S)-8-{[(4-CYCLOPENTYLPIPERAZIN-1-YL)IMINO]METHYL}-5,6,9,17,19-PENTAHYDROXY-23-METHOXY-2,4,12,16,18,20,22-HEPTAMETHYL-1,11-DIOXO-1,2-DIHYDRO-2,7-(EPOXYPENTADECA[1,11,13]TRIENOIMINO)NAPHTHO[2,1-B]FURAN-21-YL ACETATE
(7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,19E,21Z)-26-{(E)-[(4-cyclopentylpiperazin-1-yl)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-azatetracyclo[23.3.1.1(4,7).0(5,28)]triaconta-1(28),1(29),2,4,9,19,21,25,27-nonaen-13-yl acetate
3-(((4-Cyclopentyl-1-piperazinyl)imino)methyl)rifamycin
3-[N-(4-Cyclopentyl-1-piperazinyl)formimidoyl]rifamycin
Cyclopentyl rifampin
Cyclopentylrifampicin
More...

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

AIDS007686 [DBID]
AIDS-007686 [DBID]
C08059 [DBID]
CHEBI:8861 [DBID]
D00879 [DBID]
DL 473 [DBID]
DL-473 [DBID]
MDL 473 [DBID]
MDL-473 [DBID]

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: 1.630
Molar Refractivity: 233.4±0.4 cm3
#H bond acceptors: 16
#H bond donors: 6
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: 4.41
ACD/LogD (pH 5.5): 1.00
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.65
ACD/LogD (pH 7.4): 1.06
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 6.46
Polar Surface Area: 217 Å2
Polarizability: 92.5±0.5 10-24cm3
Surface Tension: 66.2±5.0 dyne/cm
Molar Volume: 655.7±5.0 cm3

Click to predict properties on the Chemicalize site


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