ChemSpider 2D Image | (7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,26E)-26-{[(4-Benzoyl-3,5-dimethyl-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-a zatetracyclo[23.3.1.1~4,7~.0~5,28~]triaconta-1(28),2,4,9,19,21,25(29)-heptaen-13-yl acetate | C51H64N4O13

(7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,26E)-26-{[(4-Benzoyl-3,5-dimethyl-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-a zatetracyclo[23.3.1.14,7.05,28]triaconta-1(28),2,4,9,19,21,25(29)-heptaen-13-yl acetate

  • Molecular FormulaC51H64N4O13
  • Average mass941.073 Da
  • Monoisotopic mass940.446988 Da
  • ChemSpider ID4976148

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 9 of 11 defined stereocentres

More details:

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

(7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,26E)-26-{[(4-Benzoyl-3,5-dimethyl-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-az ;atetracyclo[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]
(7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,26E)-26-{[(4-Benzoyl-3,5-dimethyl-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-a ;zatetracyclo[23.3.1.14,7.05,28]triaconta-1(28),2,4,9,19,21,25(29)-heptaen-13-yl acetate [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-benzoyl-3,5-dimethyl-1-piperazinyl)amino]methylene]-5,6,17,19-tetrahydroxy-23-methoxy-2,4,12,16, 18,20,22-heptamethyl-, (2S,8E,16S,17S,18R,19R,20R,21S,22R,23S,24E)- [ACD/Index Name]
Acétate de (7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,26E)-26-{[(4-benzoyl-3,5-diméthyl-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]triaconta-1(28),2,4,9,19,21,25(29)-heptaén-13-yle [French] [ACD/IUPAC Name]
2,7-(Epoxy[1,11,13]pentadecatrienoimino)naphtho[2,1-b]furan-1,11(2H)-dione, 21-(acetyloxy)-8-[(E)-[(4-benzoyl-3,5-dimethyl-1-piperazinyl)imino]methyl]-5,6,9,17,19-pentahydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-, (2S,16S,17S,18R,19R,20R,21S,22R,23S)-

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

AIDS009597 [DBID]
AIDS-009597 [DBID]
NSC212552 [DBID]

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

Density: 1.3±0.0 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.639
Molar Refractivity: 251.0±0.0 cm3
#H bond acceptors: 17
#H bond donors: 6
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 4.01
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: 172 Å2
Polarizability: 99.5±0.0 10-24cm3
Surface Tension: 67.1±0.0 dyne/cm
Molar Volume: 697.4±0.0 cm3

Click to predict properties on the Chemicalize site


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