ChemSpider 2D Image | (7S,9Z,11S,12S,13S,14R,15R,16R,17S,18S,19Z,21Z)-26-{(E)-[(4-Cyclopentyl-1-piperazinyl)imino]methyl}-2,13,15,17,27,29-hexahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-8,30-dioxa-24-azatetracyclo[2 3.3.1.1~4,7~.0~5,28~]triaconta-1(28),2,4,9,19,21,25(29),26-octaene-6,23-dione | C45H62N4O11

(7S,9Z,11S,12S,13S,14R,15R,16R,17S,18S,19Z,21Z)-26-{(E)-[(4-Cyclopentyl-1-piperazinyl)imino]methyl}-2,13,15,17,27,29-hexahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-8,30-dioxa-24-azatetracyclo[2 3.3.1.14,7.05,28]triaconta-1(28),2,4,9,19,21,25(29),26-octaene-6,23-dione

  • Molecular FormulaC45H62N4O11
  • Average mass834.994 Da
  • Monoisotopic mass834.441528 Da
  • ChemSpider ID23976039

  • 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,12S,13S,14R,15R,16R,17S,18S,19Z,21Z)-26-{(E)-[(4-Cyclopentyl-1-piperazinyl)imino]methyl}-2,13,15,17,27,29-hexahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-8,30-dioxa-24-azatetracyclo[2 ;3.3.1.14,7.05,28]triaconta-1(28),2,4,9,19,21,25(29),26-octaen-6,23-dion [German] [ACD/IUPAC Name]
(7S,9Z,11S,12S,13S,14R,15R,16R,17S,18S,19Z,21Z)-26-{(E)-[(4-Cyclopentyl-1-piperazinyl)imino]methyl}-2,13,15,17,27,29-hexahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-8,30-dioxa-24-azatetracyclo[2 ;3.3.1.14,7.05,28]triaconta-1(28),2,4,9,19,21,25(29),26-octaene-6,23-dione [ACD/IUPAC Name]
(7S,9Z,11S,12S,13S,14R,15R,16R,17S,18S,19Z,21Z)-26-{(E)-[(4-Cyclopentyl-1-pipérazinyl)imino]méthyl}-2,13,15,17,27,29-hexahydroxy-11-méthoxy-3,7,12,14,16,18,22-heptaméthyl-8,30-dioxa-24-azatétracyclo[2 ;3.3.1.14,7.05,28]triaconta-1(28),2,4,9,19,21,25(29),26-octaène-6,23-dione [French] [ACD/IUPAC Name]
2,7-(Epoxy[1,11,13]pentadecatrienoimino)naphtho[2,1-b]furan-1,11(2H)-dione, 8-[(E)-[(4-cyclopentyl-1-piperazinyl)imino]methyl]-5,6,9,17,19,21-hexahydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-, (2 S,12Z,14Z,16S,17S,18R,19R,20R,21S,22S,23S,24Z)- [ACD/Index Name]
(7S,9Z,11S,12S,13S,14R,15R,16R,17S,18S,19Z,21Z)-26-[(E)-(4-cyclopentylpiperazin-1-yl)iminomethyl]-2,13,15,17,27,29-hexahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(29),2,4,9,19,21,25,27-octaene-6,23-dione
25-Desacetyl Rifapentin
25-DESACETYL RIFAPENTINE
25-Desacetylrifapentine
79039-56-8 [RN]

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

UNII:29A0K44SJO [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: 974.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 148.7±3.0 kJ/mol
Flash Point: 542.9±34.3 °C
Index of Refraction: 1.635
Molar Refractivity: 218.7±0.5 cm3
#H bond acceptors: 15
#H bond donors: 7
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 3
ACD/LogP: 2.26
ACD/LogD (pH 5.5): 0.42
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.69
ACD/LogD (pH 7.4): 0.37
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.35
Polar Surface Area: 214 Å2
Polarizability: 86.7±0.5 10-24cm3
Surface Tension: 50.6±7.0 dyne/cm
Molar Volume: 610.6±7.0 cm3

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