ChemSpider 2D Image | 26-{[(4-Cyclopentyl-1-piperazinyl)amino]methylene}-2,15,17,29-tetrahydroxy-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~]triaconta-1(28),2, 4,9,19,21,25(29)-heptaen-13-yl acetate | C47H64N4O12

26-{[(4-Cyclopentyl-1-piperazinyl)amino]methylene}-2,15,17,29-tetrahydroxy-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]triaconta-1(28),2, 4,9,19,21,25(29)-heptaen-13-yl acetate

  • Molecular FormulaC47H64N4O12
  • Average mass877.031 Da
  • Monoisotopic mass876.452087 Da
  • ChemSpider ID5239537

More details:

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

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- [ACD/Index Name]
26-{[(4-Cyclopentyl-1-piperazinyl)amino]methylen}-2,15,17,29-tetrahydroxy-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]triaconta-1(28),2,4 ,9,19,21,25(29)-heptaen-13-yl-acetat [German] [ACD/IUPAC Name]
26-{[(4-Cyclopentyl-1-piperazinyl)amino]methylene}-2,15,17,29-tetrahydroxy-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]triaconta-1(28),2, 4,9,19,21,25(29)-heptaen-13-yl acetate [ACD/IUPAC Name]
Acétate de 26-{[(4-cyclopentyl-1-pipérazinyl)amino]méthylène}-2,15,17,29-tétrahydroxy-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]triacon ta-1(28),2,4,9,19,21,25(29)-heptaén-13-yle [French] [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: 233.4±0.4 cm3
#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: 217 Å2
Polarizability: 92.5±0.5 10-24cm3
Surface Tension: 66.2±5.0 dyne/cm
Molar Volume: 655.7±5.0 cm3

Click to predict properties on the Chemicalize site


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