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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,...
9005-38-3 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)-

CAS No.:9005-38-3
Molecular Weight:398.31668
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/C14H22O13/c1-23-7-3(15)6(18)14(27-9(7)11(19)20)25-8-4(16)5(17)13(24-2)26-10(8)12(21)22/h3-10,13-18H,1-2H3,(H,19,20)(H,21,22)
InChkey
GKFPPCXIBHQRQT-UHFFFAOYSA-N
Canonical Smiles
COC1C(C(C(OC1C(=O)O)OC2C(C(C(OC2C(=O)O)OC)O)O)O)O
Properties
Density
1.31
Melting Point
> 300 C
Boiling Point
639.6°Cat760mmHg
Flash Point
369.5°C
Safety and Handling
Risk Statements
36/37/38
Safety Statements
S24/25
Transport
25kgs
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s) no data available
Signal word

no data available

Hazard statement(s)

no data available

Precautionary statement(s)
Prevention

no data available

Response

no data available

Storage

no data available

Disposal

no data available

2.3 Other hazards which do not result in classification

no data available

Computational chemical data
  • Molecular Weight:398.31668g/mol
  • Molecular Formula:C20H32O6
  • Exact Mass:398.106041
  • Monoisotopic Mass:398.106041
  • Complexity:541
  • Rotatable Bond Count:6
  • Hydrogen Bond Donor Count:6
  • Hydrogen Bond Acceptor Count:13
  • Topological Polar Surface Area:202
  • Heavy Atom Count:27
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:10
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
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