ChemSpider 2D Image | Methyl 2,15,17,29-tetrahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-26-{[(4-methyl-1-piperazinyl)amino]methylene}-6,23,27-trioxo-8,30-dioxa-24-azatetracyclo[23.3.1.1~4,7~.0~5,28~]triaconta-1(28), 2,4,9,19,21,25(29)-heptaene-13-carboxylate | C43H58N4O12

Methyl 2,15,17,29-tetrahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-26-{[(4-methyl-1-piperazinyl)amino]methylene}-6,23,27-trioxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(28), 2,4,9,19,21,25(29)-heptaene-13-carboxylate

  • Molecular FormulaC43H58N4O12
  • Average mass822.940 Da
  • Monoisotopic mass822.405151 Da
  • ChemSpider ID5220355

More details:

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

2,15,17,29-Tétrahydroxy-11-méthoxy-3,7,12,14,16,18,22-heptaméthyl-26-{[(4-méthyl-1-pipérazinyl)amino]méthylène}-6,23,27-trioxo-8,30-dioxa-24-azatétracyclo[23.3.1.14,7.05,28]triaconta-1(28),2,4,9,1 9,21,25(29)-heptaène-13-carboxylate de méthyle [French] [ACD/IUPAC Name]
2,7-(Epoxy[1,11,13]pentadecatrienoimino)naphtho[2,1-b]furan-21-carboxylic acid, 1,2,8,9-tetrahydro-5,6,17,19-tetrahydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-8-[[(4-methyl-1-piperazinyl)amino]me thylene]-1,9,11-trioxo-, methyl ester [ACD/Index Name]
Methyl 2,15,17,29-tetrahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-26-{[(4-methyl-1-piperazinyl)amino]methylene}-6,23,27-trioxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(28),
 2,4,9,19,21,25(29)-heptaene-13-carboxylate [ACD/IUPAC Name]
Methyl-2,15,17,29-tetrahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-26-{[(4-methyl-1-piperazinyl)amino]methylen}-6,23,27-trioxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(28),2
 ,4,9,19,21,25(29)-heptaen-13-carboxylat [German] [ACD/IUPAC Name]

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: 217.0±0.4 cm3
#H bond acceptors: 16
#H bond donors: 6
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 3
ACD/LogP: 3.43
ACD/LogD (pH 5.5): 0.24
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.62
ACD/LogD (pH 7.4): 0.04
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.66
Polar Surface Area: 217 Å2
Polarizability: 86.0±0.5 10-24cm3
Surface Tension: 66.4±5.0 dyne/cm
Molar Volume: 610.1±5.0 cm3

Click to predict properties on the Chemicalize site


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