ChemSpider 2D Image | (19Z,21Z)-13-Acetoxy-26-{(Z)-[(4-cyclopentylpiperazin-4-ium-1-yl)imino]methyl}-15,17,27-trihydroxy-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),2,4,9,19,21,25(29),26-octaene-2,29-diolate | C47H63N4O12

(19Z,21Z)-13-Acetoxy-26-{(Z)-[(4-cyclopentylpiperazin-4-ium-1-yl)imino]methyl}-15,17,27-trihydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28 ]triaconta-1(28),2,4,9,19,21,25(29),26-octaene-2,29-diolate

  • Molecular FormulaC47H63N4O12
  • Average mass876.023 Da
  • Monoisotopic mass875.445007 Da
  • ChemSpider ID25021424

  • Charge - Charge

    Double-bond stereo - Double-bond stereo

More details:

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

(19Z,21Z)-13-Acetoxy-26-{(Z)-[(4-cyclopentylpiperazin-4-ium-1-yl)imino]methyl}-15,17,27-trihydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28 ]triaconta-1(28),2,4,9,19,21,25(29),26-octaen-2,29-diolat [German] [ACD/IUPAC Name]
(19Z,21Z)-13-Acetoxy-26-{(Z)-[(4-cyclopentylpiperazin-4-ium-1-yl)imino]methyl}-15,17,27-trihydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28 ]triaconta-1(28),2,4,9,19,21,25(29),26-octaene-2,29-diolate [ACD/IUPAC Name]
(19Z,21Z)-13-Acétoxy-26-{(Z)-[(4-cyclopentylpipérazin-4-ium-1-yl)imino]méthyl}-15,17,27-trihydroxy-11-méthoxy-3,7,12,14,16,18,22-heptaméthyl-6,23-dioxo-8,30-dioxa-24-azatétracyclo[23.3.1.14,7.05,28 ]triaconta-1(28),2,4,9,19,21,25(29),26-octaène-2,29-diolate [French] [ACD/IUPAC Name]
2,7-(Epoxy[1,11,13]pentadecatrienoimino)naphtho[2,1-b]furan-1,11(2H)-dione, 21-(acetyloxy)-8-[(Z)-[(4-cyclopentyl-1-piperazinyl)imino]methyl]-5,6,9,17,19-pentahydroxy-23-methoxy-2,4,12,16,18,20,22-hep tamethyl-, inner salt, ion(1-), (12Z,14Z)- [ACD/Index Name]

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

Density:
Boiling Point: 1033.1±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.0 mmHg at 25°C
Enthalpy of Vaporization: 158.2±0.0 kJ/mol
Flash Point: 578.6±0.0 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 16
#H bond donors: 6
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 3.50
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 227 Å2
Polarizability:
Surface Tension:
Molar Volume:

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