Cas no 7196-09-0 (L-Cysteine,N-[(2R)-2-hydroxy-3,3-dimethyl-1-oxo-4-(phosphonooxy)butyl]-b-alanyl-)

L-Cysteine,N-[(2R)-2-hydroxy-3,3-dimethyl-1-oxo-4-(phosphonooxy)butyl]-b-alanyl- structure
7196-09-0 structure
Product Name:L-Cysteine,N-[(2R)-2-hydroxy-3,3-dimethyl-1-oxo-4-(phosphonooxy)butyl]-b-alanyl-
CAS No:7196-09-0
MF:C12H23N2O9PS
MW:402.357783555985
CID:572189
PubChem ID:440304
Update Time:2025-04-19

L-Cysteine,N-[(2R)-2-hydroxy-3,3-dimethyl-1-oxo-4-(phosphonooxy)butyl]-b-alanyl- Chemical and Physical Properties

Names and Identifiers

    • L-Cysteine,N-[(2R)-2-hydroxy-3,3-dimethyl-1-oxo-4-(phosphonooxy)butyl]-b-alanyl-
    • (2R)-2-[3-[[(2R)-2-hydroxy-3,3-dimethyl-4-phosphonooxybutanoyl]amino]propanoylamino]-3-sulfanylpropanoic acid
    • DTXSID80222243
    • 4'-P-N-pantothenoylcysteine
    • N-{N-[(2R)-2-hydroxy-3,3-dimethyl-4-phosphonooxybutanoyl]-beta-alanyl}-L-cysteine
    • Pantothenylcysteine 4'-phosphate
    • 4'-phospho-N-pantothenoylcysteine
    • 9Z3
    • 4'-phosphopantothenoylcysteine
    • L-Cysteine, N-(N-(2-hydroxy-3,3-dimethyl-1-oxo-4-(phosphonooxy)butyl)-beta-alanyl)-, (R)-
    • 4'-Phosphopantothenoyl-L-cysteine
    • (R)-N-[N-[2-hydroxy-3,3-dimethyl-1-oxo-4-(phosphonooxy)butyl]-beta-alanyl]-L-Cysteine
    • (R)-4'-phospho-N-pantothenoyl-L-cysteine
    • XQYALQVLCNHCFT-CBAPKCEASA-N
    • N-[(R)-4-phosphopantothenoyl]-L-cysteine
    • (R)-N-[N-[2-hydroxy-3,3-dimethyl-1-oxo-4-(phosphonooxy)butyl]-b-alanyl]-L-Cysteine
    • N-[(R)-4'-Phosphopantothenoyl]-L-cysteine
    • N-((R)-4'-phosphopantothenoyl)-L-cysteine
    • N-((R)-4-phosphopantothenoyl)-L-cysteine
    • (R)-4'-Phosphopantothenoyl-L-cysteine
    • 7196-09-0
    • Pantothenoylcysteine 4'-phosphate
    • N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl-L-cysteine
    • 4-P-N-pantothenoylcysteine
    • C04352
    • (2R)-2-{3-[(2R)-2-hydroxy-3-methyl-3-[(phosphonooxy)methyl]butanamido]propanamido}-3-sulfanylpropanoic acid
    • CHEBI:15769
    • 4-PHOSPHOPANTOTHENOYLCYSTEINE
    • Q27098222
    • Inchi： 1S/C12H23N2O9PS/c1-12(2,6-23-24(20,21)22)9(16)10(17)13-4-3-8(15)14-7(5-25)11(18)19/h7,9,16,25H,3-6H2,1-2H3,(H,13,17)(H,14,15)(H,18,19)(H2,20,21,22)/t7-,9-/m0/s1
    • InChI Key： XQYALQVLCNHCFT-CBAPKCEASA-N
    • SMILES： SC[C@@H](C(=O)O)NC(CCNC([C@@H](C(C)(C)COP(=O)(O)O)O)=O)=O

Computed Properties

  • Exact Mass: 402.08629
  • Monoisotopic Mass: 402.08618849g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 7
  • Hydrogen Bond Acceptor Count: 10
  • Heavy Atom Count: 25
  • Rotatable Bond Count: 11
  • Complexity: 537
  • 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: -2.5
  • Topological Polar Surface Area: 184?2

Experimental Properties

  • PSA: 182.49

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