Cas no 136459-42-2 (4(1H)-Pteridinone,2-amino-7-[(1R,2S)-1,2-dihydroxypropyl]-5,6,7,8-tetrahydro-, (7S)-)

4(1H)-Pteridinone,2-amino-7-[(1R,2S)-1,2-dihydroxypropyl]-5,6,7,8-tetrahydro-, (7S)- structure
136459-42-2 structure
Product Name:4(1H)-Pteridinone,2-amino-7-[(1R,2S)-1,2-dihydroxypropyl]-5,6,7,8-tetrahydro-, (7S)-
CAS No:136459-42-2
MF:C9H15N5O3
MW:241.247101068497
CID:181389
PubChem ID:135625277
Update Time:2025-04-19

4(1H)-Pteridinone,2-amino-7-[(1R,2S)-1,2-dihydroxypropyl]-5,6,7,8-tetrahydro-, (7S)- Chemical and Physical Properties

Names and Identifiers

    • 4(1H)-Pteridinone,2-amino-7-[(1R,2S)-1,2-dihydroxypropyl]-5,6,7,8-tetrahydro-, (7S)-
    • (7S)-2-amino-7-[(1R,2S)-1,2-dihydroxypropyl]-5,6,7,8-tetrahydro-1H-pteridin-4-one
    • 2-amino-4-hydroxy-7-(dihydroxypropyl)-5,6,7,8-tetrahydrobiopterin
    • (7S-(7R*(1S*,2R*)))-2-Amino-7-(1,2-dihydroxypropyl)-5,6,7,8-tetrahydro-4(1H)-pteridinone
    • (7S)-2-amino-7-[(1R,2S)-1,2-dihydroxypropyl]-5,6,7,8-tetrahydropteridin-4(1H)-one
    • 4(1H)-Pteridinone, 2-amino-7-(1,2-dihydroxypropyl)-5,6,7,8-tetrahydro-, (7S-(7R*(1S*,2R*)))-
    • 7-BH4
    • (7S)-2-amino-7-[(1R,2S)-1,2-dihydroxypropyl]-5,6,7,8-tetrahydro-3H-pteridin-4-one
    • 136459-42-2
    • 1-(4-Hydroxy-2-imino-1,2,5,6,7,8-hexahydropteridin-7-yl)propane-1,2-diol
    • DTXSID50929439
    • Inchi： 1S/C9H15N5O3/c1-3(15)6(16)4-2-11-5-7(12-4)13-9(10)14-8(5)17/h3-4,6,11,15-16H,2H2,1H3,(H4,10,12,13,14,17)/t3-,4-,6-/m0/s1
    • InChI Key： UUJCZDAMSPXYEU-FKZODXBYSA-N
    • SMILES： O[C@@H]([C@H](C)O)[C@@H]1CNC2C(NC(N)=NC=2N1)=O

Computed Properties

  • Exact Mass: 241.11765
  • Monoisotopic Mass: 241.117
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 6
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 2
  • Complexity: 405
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 3
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: 17
  • XLogP3: -1.9
  • Topological Polar Surface Area: 132?2

Experimental Properties

  • Density: 1.89
  • Boiling Point: 506.6°Cat760mmHg
  • Flash Point: 260.2°C
  • Refractive Index: 1.821
  • PSA: 132

4(1H)-Pteridinone,2-amino-7-[(1R,2S)-1,2-dihydroxypropyl]-5,6,7,8-tetrahydro-, (7S)- Related Literature

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