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Home> Encyclopedia > Hot Product Listed 5   > 5,14-Pentacenedione,1,4-dihydroxy-
714249-83-9 structure

5,14-Pentacenedione,1,4-dihydroxy-

Iupac Name:6-amino-9-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-1H-purin-2-one
CAS No.:714249-83-9
Molecular Weight:297.271g/mol
Molecular Formula:C15H14O6 (isomer)
Names and Identifiers
Synonyms

1,4-dihydroxy-5,14-dihydropentacene-5,14-dione 1,4-Dihydroxy-5,14-pentacenequinone 1,4-dihydroxypentacene-5,14-dione AC1L8T2F DTXSID80330756 NSC 305521 nsc305521 nsc-305521 PL038055

Inchi
InChI=1S/C11H15N5O5/c1-11(20)6(18)4(2-17)21-9(11)16-3-13-5-7(12)14-10(19)15-8(5)16/h3-4,6,9,17-18,20H,2H2,1H3,(H3,12,14,15,19)/t4-,6-,9-,11-/m1/s1
InChkey
GDWOTBALSOOQFY-GITKWUPZSA-N
Canonical Smiles
CC1(C(C(OC1N2C=NC3=C(NC(=O)N=C32)N)CO)O)O
Properties
Density
0.835
Flash Point
333.1°C
Computational chemical data
  • Molecular Weight:297.271g/molg/mol
  • Molecular Formula:C15H14O6
  • Compound Is Canonicalized:True
  • Exact Mass:297.107
  • Monoisotopic Mass:297.107
  • Complexity:588
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:5
  • Hydrogen Bond Acceptor Count:7
  • Topological Polar Surface Area:153A^2
  • Heavy Atom Count:21
  • Defined Atom Stereocenter Count:4
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADccBzuAAAAAAAAAAAAAAAAAAAASIAAAAgAAAAAAAAAEAAAAAAHgAQCAAADFzhgAYDAAPABgCo AAZhdACAAAEAAAABAAAIABCDUAIAiAAeQAAHAQCTAADwMAIMAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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