Cas no 25679-93-0 (1H-Imidazole-5-propanol,b-amino-, 5-(dihydrogenphosphate), (bS)-)

1H-Imidazole-5-propanol,b-amino-, 5-(dihydrogenphosphate), (bS)- structure
25679-93-0 structure
Product Name:1H-Imidazole-5-propanol,b-amino-, 5-(dihydrogenphosphate), (bS)-
CAS No:25679-93-0
MF:C6H12N3O4P
MW:221.150941848755
CID:255261
PubChem ID:439398
Update Time:2025-04-19

1H-Imidazole-5-propanol,b-amino-, 5-(dihydrogenphosphate), (bS)- Chemical and Physical Properties

Names and Identifiers

    • 1H-Imidazole-5-propanol,b-amino-, 5-(dihydrogenphosphate), (bS)-
    • [(2S)-2-amino-3-(1H-imidazol-5-yl)propyl] dihydrogen phosphate
    • (2S)-2-amino-3-(1H-imidazol-5-yl)propyl dihydrogen phosphate
    • 2-amino-3-(1H-imidazol-5-yl)propyl dihydrogen phosphate
    • (S)-2-Amino-3-(1H-imidazol-5-yl)propyl dihydrogen phosphate
    • DTXSID00948559
    • Q27102169
    • (2S)-2-amino-3-(1H-imidazol-4-yl)propyl dihydrogen phosphate
    • CHEBI:16996
    • l-histidinol phosphate
    • histidinol-phosphate
    • 1H-Imidazole-4-propanol, beta-amino-, dihydrogen phosphate (ester), (S)-
    • C01100
    • PHOSPHORIC ACID MONO-[2-AMINO-3-(3H-IMIDAZOL-4-YL)-PROPYL]ESTER
    • SCHEMBL704416
    • A05605A5-B21B-458B-8737-148949E06248
    • NS00068826
    • histidinol-P
    • Imidazole-4-propanol-beta-amino-dihydrogen phosphate-L-
    • DB03997
    • [(2S)-2-amino-3-(1H-imidazol-4-yl)propoxy]phosphonic acid
    • 25679-93-0
    • 1H-Imidazole-4-propanol, beta-amino-, dihydrogen phosphate (ester), (betaS)- (9CI)
    • L-histidinol-phosphate
    • 1H-imidazole-5-propanol, beta-amino-, dihydrogen phosphate (ester), (betaS)-
    • beta-amino-dihydrogen phosphate (ester) (S)
    • Imidazole-4-propanol, beta-amino-, dihydrogen phosphate, L- (8CI)
    • L-histidinol-p
    • HSA
    • Histidinol phosphate
    • L-histidinol phosphate anion
    • Inchi: 1S/C6H12N3O4P/c7-5(3-13-14(10,11)12)1-6-2-8-4-9-6/h2,4-5H,1,3,7H2,(H,8,9)(H2,10,11,12)/t5-/m0/s1
    • InChI Key: CWNDERHTHMWBSI-YFKPBYRVSA-N
    • SMILES: P(=O)(O)(O)OC[C@H](CC1=CN=CN1)N

Computed Properties

  • Exact Mass: 221.05666
  • Monoisotopic Mass: 221.057
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 5
  • Complexity: 221
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 1
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -4.6
  • Topological Polar Surface Area: 122?2

Experimental Properties

  • Density: 1.581
  • Boiling Point: 596.8°C at 760 mmHg
  • Flash Point: 314.7°C
  • Refractive Index: 1.604
  • PSA: 121.46
  • LogP: 0.08910

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