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Home> Encyclopedia > Hot Product Listed 5   > 5,12-Naphthacenedione,8-ethyl-7,8,9,10-tetrahydro-1,6,8,11-tetrahydroxy-7,10-bis[[2,3,6-trideoxy-4-O...
57404-76-9 structure

5,12-Naphthacenedione,8-ethyl-7,8,9,10-tetrahydro-1,6,8,11-tetrahydroxy-7,10-bis[[2,3,6-trideoxy-4-O-[2,6-dideoxy-4-O-[(2R,6S)-tetrahydro-6-methyl-5-oxo-2H-pyran-2-yl]-a-L-lyxo-hexopyranosyl]-3-(dimethylamino)-a-L-lyxo-hexopyranosyl]oxy]-,(7R,8R,10S)- (9CI)

Iupac Name:[(E)-hept-1-enyl]boronic acid
CAS No.:57404-76-9
Molecular Weight:142.0038
Molecular Formula:C20H32O3 (isomer)
Names and Identifiers
Synonyms

CytorhodinA, 4C,4F-dideoxy-3B,3E-dihydroxy-4C,4F-dioxo-, (3BS,3ES)- Ditrisarubicin E

Inchi
InChI=1/C7H15BO2/c1-2-3-4-5-6-7-8(9)10/h6-7,9-10H,2-5H2,1H3/b7-6+
Canonical Smiles
B(C=CCCCCC)(O)O
Isomers Smiles
B(/C=C/CCCCC)(O)O
Properties
Density
1.16
Melting Point
107-111 °C(lit.)
Refractive Index
1.443
Flash Point
197.6°C
HS Code
2931900090
Safety and Handling
Risk Statements
R36/37/38
Safety Statements
36/37
Computational chemical data
  • Molecular Weight:142.0038g/mol
  • Molecular Formula:C20H32O3
  • Exact Mass:142.11651
  • Monoisotopic Mass:142.11651
  • Complexity:91.6
  • Rotatable Bond Count:5
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:40.5
  • Heavy Atom Count:10
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:1
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
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  • Fax:86-571-87396431
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