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Daunomycinone

CAT: 1410-M33683-05Size: 50 mgDry Ice: NoHazardous: No
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CAT#:1410-M33683-05Size:50 mg
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Description
Daunomycinone (NSC-109351) is a glycan of daunomycin, an antibiotic-class compound representing tumour-inhibiting anthracyclines, used in cancer and leukaemia treatment.
CAS Number
21794-55-8
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
398.36
Molecular Formula
C21H18O8
Notes
Research use only, not for human use.
Receptor
Antibiotic

Chemical Information

(+)-Daunomycinone

Daunomycinone is a quinone and a member of tetracenes.

CAS Number21794-55-8
PubChem CID83843
IUPAC Name(7S,9S)-9-acetyl-6,7,9,11-tetrahydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
Molecular FormulaC21H18O8
Molecular Weight398.4
XLogP2.2
Topological Polar Surface Area141
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count2
Heavy Atom Count29
Formal Charge0
Complexity721
SMILES
CC(=O)[C@]1(C[C@@H](C2=C(C1)C(=C3C(=C2O)C(=O)C4=C(C3=O)C=CC=C4OC)O)O)O
InChI
InChI=1S/C21H18O8/c1-8(22)21(28)6-10-13(11(23)7-21)19(26)16-15(18(10)25)17(24)9-4-3-5-12(29-2)14(9)20(16)27/h3-5,11,23,25-26,28H,6-7H2,1-2H3/t11-,21-/m0/s1
InChIKey
YOFDHOWPGULAQF-MQJDWESPSA-N
Chemical Structure
2D Structure
2D structure of (+)-Daunomycinone
CAS: 21794-55-8
CID: 83843
Formula: C21H18O8
MW: 398.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight398.4
XLogP32.2
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count2
Exact Mass398.10016753
Monoisotopic Mass398.10016753
Topological Polar Surface Area141 Ų
Heavy Atom Count29
Formal Charge0
Complexity721
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS5756516Daunomycinone
007531Daunomycinone-d3
HY-114658RDaunomycinone (Standard)
TRC-D230900-1MG4-Demethyl Daunomycinone
sc-218086Daunomycinone-13C, d3
TRC-T328780-25MG1-Demethyl Hydroxy Daunomycinone

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