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Home> Encyclopedia > Hot Product Listed 5   > 5,8,14,17-Eicosatetraenoicacid, 10,11,12-trihydroxy-
83711-63-1 structure

5,8,14,17-Eicosatetraenoicacid, 10,11,12-trihydroxy-

Iupac Name:tetrasodium;[[[(2S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate
CAS No.:83711-63-1
Molecular Weight:555.083
Molecular Formula:C25H28N6O7S3 (isomer)
Names and Identifiers
Synonyms

10,11,12-trihydroxy-5,8,14,17-eicosatetraenoic acid 10,11,12-trihydroxy-5,8,14,17-eicosatetraenoicacid 10,11,12-trihydroxy-5,8,14,17-eicostetraenoic acid 10,11,12-trihydroxyicosa-5,8,14,17-tetraenoic acid 5,8,14,17-eicosatetraenoicacid, 10,11,12-trihydroxy- (9ci) ACMC-20M65X CTK0H8702 LP026141

Inchi
InChI=1S/C9H16N3O13P3.4Na/c10-7-1-2-12(9(14)11-7)8-6(13)3-5(23-8)4-22-27(18,19)25-28(20,21)24-26(15,16)17;;;;/h1-2,5-6,8,13H,3-4H2,(H,18,19)(H,20,21)(H2,10,11,14)(H2,15,16,17);;;;/q;4*+1/p-4/t5-,6+,8+;;;;/m0..../s1
InChkey
MDGLOOQSYFXGOG-OIXZBRQUSA-J
Canonical Smiles
C1C(OC(C1O)N2C=CC(=NC2=O)N)COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-].[Na+].[Na+].[Na+].[Na+]
Properties
Density
1.2
Boiling Point
864.5°Cat760mmHg
Flash Point
376.7°C
Computational chemical data
  • Molecular Weight:555.083g/mol
  • Molecular Formula:C25H28N6O7S3
  • Compound Is Canonicalized:True
  • Exact Mass:554.917
  • Monoisotopic Mass:554.917
  • Complexity:795
  • Rotatable Bond Count:7
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:13
  • Topological Polar Surface Area:259A^2
  • Heavy Atom Count:32
  • Defined Atom Stereocenter Count:3
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:5
  • CACTVS Substructure Key Fingerprint: AAADccBzPDMAAAAAAAAAAAAAAAAAASAAAAAgAAAAAAAAAAAAAAAAHgAQCCAACBThgAYBAANABxCo QCJmdICAAAEAAgAIAAAYABCDEAIAgAAOQAAFFgITAADwMAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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