Cas no 171777-72-3 (Folic Acid-d4)

Folic Acid-d4 structure
Folic Acid-d4 structure
Product Name:Folic Acid-d4
CAS No:171777-72-3
MF:C19H19N7O6
MW:445.4221098423
CID:111401
Update Time:2025-04-18

Folic Acid-d4 Chemical and Physical Properties

Names and Identifiers

    • L-Glutamic acid,N-[4-[[(2-amino-1,4-dihydro-4-oxo-6-pteridinyl)methyl]amino]benzoyl-2,3,5,6-d4]-(9CI)
    • Folic Acid-D4
    • (2S)-2-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]-2,3,5,6-tetradeuteriobenzoyl]amino]pentanedioic acid
    • L-Glutamic acid,N-[4-[[(2-amino-1,4-dihydro-4-oxo-6-pteridinyl)methyl]amino]benzoyl-2,3,5,6-d4...
    • [2H4]folic acid
    • <2',3',5',6'-2H4>folic acid
    • Acifolic-d4
    • Cytofol-d4
    • Folacid-d4
    • Folacin-d4
    • Folcidin-d4
    • Folettes-d4
    • Foliamin-d4
    • Folsaure-d4
    • Incafolic-d4
    • Millafol-d4
    • N-[4-[[(2-Amino-1,4-dihydro-4-oxo-6-pteridinyl)methyl]amino]benzoyl-2,3,5,6-D4]-L-glutamic acid
    • Aspol-d4
    • Folbal-d4
    • Folsan-d4
    • Folsav-d4
    • Foldine-d4
    • Folicet-d4
    • Folipac-d4
    • Folic Acid-d4
    • Inchi: 1S/C19H19N7O6/c20-19-25-15-14(17(30)26-19)23-11(8-22-15)7-21-10-3-1-9(2-4-10)16(29)24-12(18(31)32)5-6-13(27)28/h1-4,8,12,21H,5-7H2,(H,24,29)(H,27,28)(H,31,32)(H3,20,22,25,26,30)/t12-/m0/s1/i1D,2D,3D,4D
    • InChI Key: OVBPIULPVIDEAO-ALIZGMTFSA-N
    • SMILES: OC([C@H](CCC(=O)O)NC(C1C([2H])=C([2H])C(=C([2H])C=1[2H])NCC1C=NC2=C(C(NC(N)=N2)=O)N=1)=O)=O

Computed Properties

  • Exact Mass: 445.16500
  • Isotope Atom Count: 4
  • Hydrogen Bond Donor Count: 6
  • Hydrogen Bond Acceptor Count: 9
  • Heavy Atom Count: 32
  • Rotatable Bond Count: 9
  • Complexity: 767
  • 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
  • Surface Charge: 0
  • Tautomer Count: 60
  • XLogP3: nothing

Experimental Properties

  • Melting Point: >200?C (dec.)
  • PSA: 213.54000
  • LogP: 1.41260

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Folic Acid-d4 Production Method

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