ChemSpider 2D Image | 4-({[(9Z,19Z,24E)-13-Acetoxy-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(29),2,4,9,19,21,24,27-octaen- 26-ylidene]methyl}amino)-1-methylpiperazin-1-ium | C43H59N4O12

4-({[(9Z,19Z,24E)-13-Acetoxy-2,15,17,27,29-pentahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(29),2,4,9,19,21,24,27-octaen- 26-ylidene]methyl}amino)-1-methylpiperazin-1-ium

  • Molecular FormulaC43H59N4O12
  • Average mass823.948 Da
  • Monoisotopic mass823.412415 Da
  • ChemSpider ID25021754

  • Charge - Charge

    Double-bond stereo - Double-bond stereo

More details:

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

4-({[(9Z,19Z,24E)-13-Acetoxy-2,15,17,27,29-pentahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(29),2,4,9,19,21,24,27-octaen- 26-yliden]methyl}amino)-1-methylpiperazin-1-ium [German] [ACD/IUPAC Name]
4-({[(9Z,19Z,24E)-13-Acetoxy-2,15,17,27,29-pentahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(29),2,4,9,19,21,24,27-octaen- 26-ylidene]methyl}amino)-1-methylpiperazin-1-ium [ACD/IUPAC Name]
4-({[(9Z,19Z,24E)-13-Acétoxy-2,15,17,27,29-pentahydroxy-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(29),2,4,9,19,21,24,27-octaén- 26-ylidène]méthyl}amino)-1-méthylpipérazin-1-ium [French] [ACD/IUPAC Name]
8H-2,7-(Epoxy[1,11,13]pentadecatrienonitrilo)naphtho[2,1-b]furan-1,11(2H)-dione, 21-(acetyloxy)-5,6,9,17,19-pentahydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-8-[[(4-methyl-1-piperazinyl)amino]met hylene]-, conjugate monoacid, (7E,14Z,24Z)- [ACD/Index Name]

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

Density:
Boiling Point: 708.6±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.1 mmHg at 25°C
Enthalpy of Vaporization: 118.4±6.0 kJ/mol
Flash Point: 382.4±35.7 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 16
#H bond donors: 6
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 3
ACD/LogP: -0.83
ACD/LogD (pH 5.5): -1.76
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.19
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 11.56
Polar Surface Area: 221 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


Advertisement