Cas no 68780-16-5 (3',4'-Dideoxy-6'-C-methylbutirosin B)

3',4'-Dideoxy-6'-C-methylbutirosin B structure
68780-16-5 structure
Product Name:3',4'-Dideoxy-6'-C-methylbutirosin B
CAS No:68780-16-5
MF:C22H43N5O10
MW:537.604326486588
CID:6766236
Update Time:2024-03-03

3',4'-Dideoxy-6'-C-methylbutirosin B Chemical and Physical Properties

Names and Identifiers

    • 3',4'-Dideoxy-6'-C-methylbutirosin A
    • 3',4'-Dideoxy-6'-C-methylbutirosin B
    • Inchi: 1S/C22H43N5O10/c1-8(24)13-3-2-9(25)21(34-13)36-18-10(26)6-11(27-20(33)12(29)4-5-23)15(30)19(18)37-22-17(32)16(31)14(7-28)35-22/h8-19,21-22,28-32H,2-7,23-26H2,1H3,(H,27,33)/t8?,9?,10?,11?,12-,13?,14?,15?,16?,17?,18?,19?,21?,22?/m0/s1
    • InChI Key: XPTQHPYRCFRZPX-VTXDMFHXSA-N
    • SMILES: CC(C1OC(OC2C(OC3C(O)C(O)C(CO)O3)C(O)C(NC([C@H](CCN)O)=O)CC2N)C(N)CC1)N

Computed Properties

  • Hydrogen Bond Donor Count: 10
  • Hydrogen Bond Acceptor Count: 15
  • Heavy Atom Count: 37
  • XLogP3: -4.657

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