ChemSpider 2D Image | 13-Acetoxy-26-{[(4-cyclopentyl-1-piperazinediiumyl)amino]methylene}-15,17,29-trihydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23,27-trioxo-8,30-dioxa-24-azatetracyclo[23.3.1.1~4,7~.0~5,28~]triac onta-1(28),2,4,9,19,21,25(29)-heptaen-2-olate | C47H65N4O12

13-Acetoxy-26-{[(4-cyclopentyl-1-piperazinediiumyl)amino]methylene}-15,17,29-trihydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23,27-trioxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triac onta-1(28),2,4,9,19,21,25(29)-heptaen-2-olate

  • Molecular FormulaC47H65N4O12
  • Average mass878.038 Da
  • Monoisotopic mass877.459351 Da
  • ChemSpider ID21231674

  • Charge - Charge

More details:

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

13-Acetoxy-26-{[(4-cyclopentyl-1-piperazindiiumyl)amino]methylen}-15,17,29-trihydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23,27-trioxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triacon ta-1(28),2,4,9,19,21,25(29)-heptaen-2-olat [German] [ACD/IUPAC Name]
13-Acetoxy-26-{[(4-cyclopentyl-1-piperazinediiumyl)amino]methylene}-15,17,29-trihydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23,27-trioxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triac onta-1(28),2,4,9,19,21,25(29)-heptaen-2-olate [ACD/IUPAC Name]
13-Acétoxy-26-{[(4-cyclopentyl-1-pipérazinediiumyl)amino]méthylène}-15,17,29-trihydroxy-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]triac onta-1(28),2,4,9,19,21,25(29)-heptaén-2-olate [French] [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-, inner salt, conjugate acid [ACD/Index Name]

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#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): 0.98
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.42
ACD/LogD (pH 7.4): 0.95
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.09
Polar Surface Area: 222 Å2
Polarizability:
Surface Tension:
Molar Volume:

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