Cas no 72993-42-1 (Lithium, (1-methylpropyl)-, (±)-)

Lithium, (1-methylpropyl)-, (±)- structure
72993-42-1 structure
Product Name:Lithium, (1-methylpropyl)-, (±)-
CAS No:72993-42-1
MF:C4H9Li
MW:64.0552613735199
CID:4160912
PubChem ID:191718
Update Time:2025-04-24

Lithium, (1-methylpropyl)-, (±)- Chemical and Physical Properties

Names and Identifiers

    • Lithium, (1-methylpropyl)-, (±)-
    • Einecs 209-927-7
    • Urcin
    • Olean-12-en-28-oic acid, 3-hydroxy-, (3beta)-, mixt. with (3beta)-3-hydroxyurs-12-en-28-oic acid
    • 72993-42-1
    • 64115-78-2
    • (1S,2R,4aS,6aR,6aS,6bR,10S,12aR,14bR)-10-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid;(4aS,6aR,6aS,6bR,10S,12aR,14bR)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
    • DTXCID40227956
    • DTXSID70276710
    • Inchi: 1S/C4H9.Li/c1-3-4-2;/h3H,4H2,1-2H3;
    • InChI Key: VATDYQWILMGLEW-UHFFFAOYSA-N
    • SMILES: [Li]C(C)CC

Computed Properties

  • Exact Mass: 912.72069078Da
  • Monoisotopic Mass: 912.72069078Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 66
  • Rotatable Bond Count: 2
  • Complexity: 1760
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 16
  • Undefined Atom Stereocenter Count : 2
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 115?2
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