Cas no 1233643-88-3 ((2R,3R,4S)-3-acetamido-4-guanidino-2-((1R,2R)-2-hydroxy-1-methoxy-3-(octanoyloxy)propyl)-3,4-dihydro-2H-pyran-6-carboxylic acid hydrate)

(2R,3R,4S)-3-acetamido-4-guanidino-2-((1R,2R)-2-hydroxy-1-methoxy-3-(octanoyloxy)propyl)-3,4-dihydro-2H-pyran-6-carboxylic acid hydrate structure
1233643-88-3 structure
Product Name:(2R,3R,4S)-3-acetamido-4-guanidino-2-((1R,2R)-2-hydroxy-1-methoxy-3-(octanoyloxy)propyl)-3,4-dihydro-2H-pyran-6-carboxylic acid hydrate
CAS No:1233643-88-3
MF:C21H38N4O9
MW:490.547826290131
CID:2854471
PubChem ID:46919879
Update Time:2024-11-04

(2R,3R,4S)-3-acetamido-4-guanidino-2-((1R,2R)-2-hydroxy-1-methoxy-3-(octanoyloxy)propyl)-3,4-dihydro-2H-pyran-6-carboxylic acid hydrate Chemical and Physical Properties

Names and Identifiers

    • Inavir
    • Laninamivir Octanoate Monohydrate
    • MCG28BI87W
    • lo
    • (2R,3R,4S)-3-Acetamido-4-guanidino-2-((1R,2R)-2-hydroxy-1-methoxy-3-(octanoyloxy)propyl)-3,4-dihydro-2H-pyran-6-carboxylic acid monohydrate (203120-46-1, anhydride) (2R,3R,4S)-3-Acetamido-4-guanidino-2-((1S,2R)-3-hydroxy-1-methoxy-2-(octanoyloxy)propyl)-3,4-dihydro-2H-pyran-6-carboxylic acid monohydrate (1010069-63-2, anhydride)
    • LANINAMIVIR OCTANOIC ACID ESTER HYDRATE [MI]
    • DTXSID70153991
    • HY-14818C
    • (2R,3R,4S)-3-acetamido-4-(diaminomethylideneamino)-2-[(1R,2R)-2-hydroxy-1-methoxy-3-octanoyloxypropyl]-3,4-dihydro-2H-pyran-6-carboxylic acid;hydrate
    • LANINAMIVIR OCTANOATE HYDRATE [JAN]
    • (2R,3R,4S)-3-Acetamido-4-guanidino-2-[(1R,2R)-2-hydroxy-1-methoxy-3-(octanoyloxy)propyl]-3,4-dihydro-2H-pyran-6-carboxylic acid monohydrate [203120-46-1, anhydride] (2R,3R,4S)-3-Acetamido-4-guanidino-2-[(1S,2R)-3-hydroxy-1-methoxy-2-(octanoyloxy)propyl]-3,4-dihydro-2H-pyran-6-carboxylic acid monohydrate [1010069-63-2, anhydride]
    • (2R,3R,4S)-3-ACETAMIDO-4-GUANIDINO-2-((1R,2R)-2-HYDROXY-1-METHOXY-3-(OCTANOYLOXY)PROPYL)-3,4-DIHYDRO-2H-PYRAN-6-CARBOXYLIC ACID MONOHYDRATE
    • SCHEMBL17728099
    • D09547
    • LANINAMIVIR OCTANOATE MONOHYDRATE [WHO-DD]
    • Q27283864
    • Laninamivir octanoate hydrate (JAN)
    • UNII-MCG28BI87W
    • Laninamivir octanoate (hydrate)
    • LANINAMIVIR OCTANOATE HYDRATE, (+)-
    • Laninamivir octanoate hydrate
    • 1233643-88-3
    • CS-0136736
    • AKOS032954249
    • LANINAMIVIR OCTANOIC ACID ESTER HYDRATE
    • DTXCID3076482
    • (2R,3R,4S)-3-acetamido-4-guanidino-2-((1R,2R)-2-hydroxy-1-methoxy-3-(octanoyloxy)propyl)-3,4-dihydro-2H-pyran-6-carboxylic acid hydrate
    • Inchi: 1S/C21H36N4O8.H2O/c1-4-5-6-7-8-9-16(28)32-11-14(27)18(31-3)19-17(24-12(2)26)13(25-21(22)23)10-15(33-19)20(29)30;/h10,13-14,17-19,27H,4-9,11H2,1-3H3,(H,24,26)(H,29,30)(H4,22,23,25);1H2/t13-,14+,17+,18+,19+;/m0./s1
    • InChI Key: IBFFAVWCRFPPNZ-QZAMVOJNSA-N
    • SMILES: [C@@H]1([C@H](OC)[C@H](O)COC(=O)CCCCCCC)OC(C(O)=O)=C[C@H](/N=C(\N)/N)[C@H]1NC(=O)C.[H]O[H]

Computed Properties

  • Exact Mass: 490.26387880g/mol
  • Monoisotopic Mass: 490.26387880g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 6
  • Hydrogen Bond Acceptor Count: 10
  • Heavy Atom Count: 34
  • Rotatable Bond Count: 15
  • Complexity: 723
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 5
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 197?2

Experimental Properties

  • Color/Form: Solid powder

(2R,3R,4S)-3-acetamido-4-guanidino-2-((1R,2R)-2-hydroxy-1-methoxy-3-(octanoyloxy)propyl)-3,4-dihydro-2H-pyran-6-carboxylic acid hydrate Security Information

  • Signal Word:Warning
  • Storage Condition:(BD767925)

(2R,3R,4S)-3-acetamido-4-guanidino-2-((1R,2R)-2-hydroxy-1-methoxy-3-(octanoyloxy)propyl)-3,4-dihydro-2H-pyran-6-carboxylic acid hydrate Pricemore >>

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