Cas no 83-23-8 (2,7-Naphthalenedisulfonicacid, 4-amino-5-[(phenylsulfonyl)oxy]-)

2,7-Naphthalenedisulfonicacid, 4-amino-5-[(phenylsulfonyl)oxy]- structure
83-23-8 structure
Product Name:2,7-Naphthalenedisulfonicacid, 4-amino-5-[(phenylsulfonyl)oxy]-
CAS No:83-23-8
MF:C16H13NO9S3
MW:459.470721006393
CID:724565
PubChem ID:66517
Update Time:2025-04-19

2,7-Naphthalenedisulfonicacid, 4-amino-5-[(phenylsulfonyl)oxy]- Chemical and Physical Properties

Names and Identifiers

    • 2,7-Naphthalenedisulfonicacid, 4-amino-5-[(phenylsulfonyl)oxy]-
    • 4-amino-5-(benzenesulfonyloxy)naphthalene-2,7-disulfonic acid
    • O-Benzenesulfo H acid
    • 2,7-Naphthalenedisulfonic acid, 4-amino-5-[(phenylsulfonyl)oxy]-
    • 83-23-8
    • DTXSID7058888
    • 4-Amino-5-((phenylsulphonyl)oxy)naphthalene-2,7-disulphonic acid
    • 2,7-Naphthalenedisulfonic acid, 4-amino-5-((phenylsulfonyl)oxy)-
    • EINECS 201-460-7
    • W-109301
    • SCHEMBL8530271
    • NS00041259
    • 4-Amino-5-[(phenylsulphonyl)oxy]naphthalene-2,7-disulphonic acid
    • Inchi: 1S/C16H13NO9S3/c17-14-8-12(27(18,19)20)6-10-7-13(28(21,22)23)9-15(16(10)14)26-29(24,25)11-4-2-1-3-5-11/h1-9H,17H2,(H,18,19,20)(H,21,22,23)
    • InChI Key: SZDWYKHYOOGWOF-UHFFFAOYSA-N
    • SMILES: S(C1C=C(C2=C(C=C(C=C2C=1)S(=O)(=O)O)N)OS(C1C=CC=CC=1)(=O)=O)(=O)(=O)O

Computed Properties

  • Exact Mass: 458.97500
  • Monoisotopic Mass: 458.97524451g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 10
  • Heavy Atom Count: 29
  • Rotatable Bond Count: 5
  • Complexity: 893
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.1
  • Topological Polar Surface Area: 203?2

Experimental Properties

  • PSA: 203.27000
  • LogP: 5.50670
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