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Home> Encyclopedia > Hot Product Listed 5   > 5,12-Naphthacenedione,8-acetyl-10-[[3-amino-4-O-(3-amino-2,3,6-trideoxy-a-L-lyxo-hexopyranosyl)-2,3,...
103-24-2 structure

5,12-Naphthacenedione,8-acetyl-10-[[3-amino-4-O-(3-amino-2,3,6-trideoxy-a-L-lyxo-hexopyranosyl)-2,3,6-trideoxy-a-L-lyxo-hexopyranosyl]oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-,(8S,10S)-

Iupac Name:bis(2-ethylhexyl) nonanedioate
CAS No.:103-24-2
Molecular Weight:412.655
Molecular Formula:C20H32O6 (isomer)
Names and Identifiers
Synonyms

4'-Daunosaminyldaunomycin 5,12-Naphthacenedione,8-acetyl-10-[[3-amino-4-O-(3-amino-2,3,6-trideoxy-a-L-lyxo-hexopyranosyl)-2,3,6-trideoxy-a-L-lyxo-hexopyranosyl]oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-,(8S-cis)- L-lyxo-Hexopyranoside,3-acetyl-1,2,3,4,6,11-hexahydro-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1-naphthacenyl3-amino-4-O-(3-amino-2,3,6-trideoxy-a-L-lyxo-hexopyranosyl)-2,3,6-trideoxy-, (1S,3S)- a- (8CI)

Inchi
InChI=1S/C25H48O4/c1-5-9-16-22(7-3)20-28-24(26)18-14-12-11-13-15-19-25(27)29-21-23(8-4)17-10-6-2/h22-23H,5-21H2,1-4H3
InChkey
ZDWGXBPVPXVXMQ-UHFFFAOYSA-N
Canonical Smiles
CCCCC(CC)COC(=O)CCCCCCCC(=O)OCC(CC)CCCC
Properties
Density
1.31
Melting Point
-67°C
Boiling Point
639.6°Cat760mmHg
Vapour
0mmHg at 25°C
Flash Point
369.5°C
HS Code
29171390
Safety and Handling
Safety Statements
Moderately toxic by intravenous route. Mildly toxic by ingestion and skin contact. A skin irritant. See also ESTERS. When heated to decomposition it emits acrid smoke and irritating fumes.
PackingGroup
Z01
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Not classified.

2.2 GHS label elements, including precautionary statements

Pictogram(s) No symbol.
Signal word

No signal word.

Hazard statement(s)

none

Precautionary statement(s)
Prevention

none

Response

none

Storage

none

Disposal

none

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:412.655g/mol
  • Molecular Formula:C20H32O6
  • Compound Is Canonicalized:True
  • Exact Mass:412.355
  • Monoisotopic Mass:412.355
  • Complexity:358
  • Rotatable Bond Count:22
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:52.6A^2
  • Heavy Atom Count:29
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:2
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADcfB4OAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAAAAAADQCggAICCAAABAAI AACQCAAAAAAAAAAAAAEAAAAAABIAAAACAAAEAAAAAAGIyKCOAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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