Cas no 1217632-04-6 (D-Neopterin-13C5)

D-Neopterin-13C5 structure
D-Neopterin-13C5 structure
Product Name:D-Neopterin-13C5
CAS No:1217632-04-6
MF:C9H11N5O4
MW:253.214740991592
CID:4551637
PubChem ID:135950974
Update Time:2024-11-04

D-Neopterin-13C5 Chemical and Physical Properties

Names and Identifiers

    • D-Neopterin-13C5
    • [13C5]-D-Neopterin
    • AKOS030241205
    • 1217632-04-6
    • Neopterin-13C5
    • HY-W040055S
    • 2-amino-6-[(1S,2S)-1,2,3-trihydroxy(1,2,3-13C3)propyl]-3H-pteridin-4-one
    • J-013006
    • CS-0415998
    • Inchi: 1S/C9H11N5O4/c10-9-13-7-5(8(18)14-9)12-3(1-11-7)6(17)4(16)2-15/h1,4,6,15-17H,2H2,(H3,10,11,13,14,18)/t4-,6+/m1/s1
    • InChI Key: BMQYVXCPAOLZOK-XINAWCOVSA-N
    • SMILES: N1C2=C(N=C([C@H](O)[C@H](O)CO)C=N2)C(=O)N=C1N

Computed Properties

  • Exact Mass: 258.09787803g/mol
  • Monoisotopic Mass: 258.09787803g/mol
  • Isotope Atom Count: 5
  • Hydrogen Bond Donor Count: 5
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 3
  • Complexity: 363
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 2
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -3.5
  • Topological Polar Surface Area: 154?2

Experimental Properties

  • Density: 2.0±0.1 g/cm3
  • Melting Point: Not available
  • Boiling Point: Not available
  • Flash Point: Not available
  • Vapor Pressure: Not available

D-Neopterin-13C5 Pricemore >>

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