Cas no 112360-08-4 (Butanoic acid,4-[4-[2-(4-octylphenyl)diazenyl]phenoxy]-)

Butanoic acid,4-[4-[2-(4-octylphenyl)diazenyl]phenoxy]- structure
112360-08-4 structure
Product Name:Butanoic acid,4-[4-[2-(4-octylphenyl)diazenyl]phenoxy]-
CAS No:112360-08-4
MF:C10H15N5O10P2
MW:427.201123476028
CID:129731
PubChem ID:6022
Update Time:2025-04-19

Butanoic acid,4-[4-[2-(4-octylphenyl)diazenyl]phenoxy]- Chemical and Physical Properties

Names and Identifiers

    • Butanoic acid,4-[4-[2-(4-octylphenyl)diazenyl]phenoxy]-
    • 4-(3-Carboxytrimethyleneoxy)-4''-octylazobenzene
    • Adenosine diphosphate (6CI)
    • bmse000004
    • AKOS022179933
    • 4-26-00-03629 (Beilstein Handbook Reference)
    • SCHEMBL24103
    • BRN 0067722
    • C00008
    • Adenosine 5'-diphosphate sodium salt
    • bmse000935
    • adenosine-5'-diphosphate
    • 20398-34-9
    • 9H-purin-6-amine, 9-[5-O-[hydroxy(phosphonooxy)phosphinyl]-beta-D-glycero-pentofuranosyl]-
    • 1yrs
    • ((2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl trihydrogen diphosphate
    • BDBM31995
    • 112360-08-4
    • PDSP1_001088
    • Adenosine 5'-diphosphoric acid
    • 61D2G4IYVH
    • s9368
    • Adenosine 5'-diphosphate, >=95% (HPLC)
    • Dynorphin A (1-13), ala(2)-trp(4)-
    • NCGC00163322-01
    • EINECS 200-392-5
    • 1oz4
    • Adenosine 5'-pyrophosphoric acid
    • Adenosine, 5'-(trihydrogen diphosphate)
    • J-700143
    • UNII-61D2G4IYVH
    • HY-W010918
    • 11062-03-6
    • ADENOSINE DIPHOSPHATE [WHO-DD]
    • 9-{5-O-[hydroxy(phosphonooxy)phosphoryl]-b-D-glycero-pentofuranosyl}-9H-purin-6-amine
    • s10970
    • ADENOSINE, 5'-(TRIHYDROGEN PYROPHOSPHATE)
    • 1y8o
    • 5'-Adp
    • 1m74
    • EN300-1588520
    • Adenosine diphosphate
    • 1t3t
    • 1amw
    • GTPL1712
    • a-ADP
    • CS-W011634
    • Adenosine 5'-(trihydrogen diphosphate) (9CI)
    • CCG-268971
    • 58-64-0
    • 17791-27-4
    • Adenosine5'-diphosphate
    • 4-(3-Carboxytrimethyleneoxy)-4/'/'-octylazobenzene
    • DTXSID60883210
    • C10H15N5O10P2
    • 1hi5
    • 1ucn
    • 1ao0
    • adenosine-5-diphosphate
    • bmse000991
    • Adenosindiphosphorsaeure
    • CHEBI:16761
    • 1o0h
    • Ado-5'-P-P
    • AS-11755
    • ADP.H2
    • 110123-09-6
    • Adenosine 5'-(trihydrogen pyrophosphate) (8CI)
    • Adenosine-5'-diphosphat
    • [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl phosphono hydrogen phosphate
    • [({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]phosphonic acid
    • adenosine pyrophosphate
    • adenosine 5' diphosphate
    • ADP (nucleotide)
    • MFCD00066473
    • 1lkx
    • BDBM50368125
    • Adenosine-5'-Diphosphate, free acid
    • PDSP2_001072
    • 104746-05-6
    • 5'-Adenylphosphoric acid
    • H3adp
    • Adenosine diphosphoric acid
    • ADENOSINE DIPHOSPHATE [MI]
    • Adenosine 5'-(trihydrogen diphosphate)
    • AC-32145
    • 1e8h
    • Q185253
    • Epitope ID:137351
    • Adenosine diphosphate;Adenosine 5'-diphosphate
    • Adenosine diphosphate;ADP
    • 2c02
    • adenosine 5'-pyrophosphate
    • SCHEMBL18076199
    • 1,4-Cyclohexadiene-3,3,6,6-d4
    • BP-58727
    • 9H-Purin-6-amine, 9-[5-O-[hydroxy(phosphonooxy)phosphinyl]-.beta.-D-ribofuranosyl]-
    • Adenosine Diphosphate (ADP)
    • Adenosine 5'-diphosphate
    • 2bfr
    • ADP
    • CHEMBL14830
    • Adenosine disphosphate
    • NS00014781
    • 1xxi
    • [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate
    • adenosine 5 inverted exclamation marka-diphosphate
    • Inchi: 1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
    • InChI Key: XTWYTFMLZFPYCI-KQYNXXCUSA-N
    • SMILES: P(=O)(O)(OP(=O)(O)O)OC[C@@H]1[C@H]([C@H]([C@H](N2C=NC3C(N)=NC=NC2=3)O1)O)O

Computed Properties

  • Exact Mass: 427.02941569g/mol
  • Monoisotopic Mass: 427.02941569g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 6
  • Hydrogen Bond Acceptor Count: 14
  • Heavy Atom Count: 27
  • Rotatable Bond Count: 6
  • Complexity: 638
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 4
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -4.6
  • Topological Polar Surface Area: 233?2

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