Cas no 1093676-94-8 (Cyclopentaneheptanoic acid, 5-(acetyloxy)-2-(hydroxymethyl)-3-[(tetrahydro-2H-pyran-2-yl)oxy]-, methyl ester, (1R,2S,3R,5S)-)

Cyclopentaneheptanoic acid, 5-(acetyloxy)-2-(hydroxymethyl)-3-[(tetrahydro-2H-pyran-2-yl)oxy]-, methyl ester, (1R,2S,3R,5S)- structure
1093676-94-8 structure
Product Name:Cyclopentaneheptanoic acid, 5-(acetyloxy)-2-(hydroxymethyl)-3-[(tetrahydro-2H-pyran-2-yl)oxy]-, methyl ester, (1R,2S,3R,5S)-
CAS No:1093676-94-8
MF:C16H17IN4O2
MW:424.236255407333
MDL:MFCD16039036
CID:833393
Update Time:2026-04-29

Cyclopentaneheptanoic acid, 5-(acetyloxy)-2-(hydroxymethyl)-3-[(tetrahydro-2H-pyran-2-yl)oxy]-, methyl ester, (1R,2S,3R,5S)- Chemical and Physical Properties

Names and Identifiers

    • Cyclopentaneheptanoic acid, 5-(acetyloxy)-2-(hydroxymethyl)-3-[(tetrahydro-2H-pyran-2-yl)oxy]-, methyl ester, (1R,2S,3R,5S)-
    • tert-butyl 3-iodo-5-(1-methyl-1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-1-carboxylate
    • tert-butyl 3-iodo-5-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridine-1-carboxylate
    • MDL: MFCD16039036
    • Inchi: InChI=1S/C16H17IN4O2/c1-16(2,3)23-15(22)21-9-13(17)12-5-10(6-18-14(12)21)11-7-19-20(4)8-11/h5-9H,1-4H3
    • InChI Key: RGSXGWRZOZYFAX-UHFFFAOYSA-N
    • SMILES: CC(C)(C)OC(=O)N1C=C(C2=C1N=CC(=C2)C3=CN(C)N=C3)I

Computed Properties

  • Exact Mass: 424.03931
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 23
  • Rotatable Bond Count: 4

Experimental Properties

  • PSA: 61.94

Cyclopentaneheptanoic acid, 5-(acetyloxy)-2-(hydroxymethyl)-3-[(tetrahydro-2H-pyran-2-yl)oxy]-, methyl ester, (1R,2S,3R,5S)- Pricemore >>

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