ChemSpider 2D Image | (7S,11S,12R,13S,14R,15R,16R,17S,18S,26Z)-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)-heptaen-13-yl acetate | C43H58N4O12

(7S,11S,12R,13S,14R,15R,16R,17S,18S,26Z)-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)-heptaen-13-yl acetate

  • Molecular FormulaC43H58N4O12
  • Average mass822.940 Da
  • Monoisotopic mass822.405151 Da
  • ChemSpider ID4535009

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(7S,11S,12R,13S,14R,15R,16R,17S,18S,26Z)-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-yl-acetat [German] [ACD/IUPAC Name]
(7S,11S,12R,13S,14R,15R,16R,17S,18S,26Z)-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)-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)-5,6,17,19-tetrahydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-8-[[(4-methyl-1-piperazinyl)amino]meth ylene]-, (2S,8Z,16S,17S,18R,19R,20R,21S,22R,23S)- [ACD/Index Name]
Acétate de (7S,11S,12R,13S,14R,15R,16R,17S,18S,26Z)-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-azatétr ;acyclo[23.3.1.14,7.05,28]triaconta-1(28),2,4,9,19,21,25(29)-heptaén-13-yle [French] [ACD/IUPAC Name]

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

MLS000028552 [DBID]
NCI60_000309 [DBID]
Prestwick0_000525 [DBID]
Prestwick1_000525 [DBID]
SMR000058322 [DBID]
SPBio_002430 [DBID]

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: 2.91
ACD/LogD (pH 5.5): 0.04
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.07
ACD/LogD (pH 7.4): -0.05
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.70
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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