Cas no 119767-03-2 (homoharringtonamide)

homoharringtonamide structure
homoharringtonamide structure
Product Name:homoharringtonamide
CAS No:119767-03-2
MF:C29H37NO10
MW:559.604789495468
CID:224370
PubChem ID:56840994
Update Time:2025-04-19

homoharringtonamide Chemical and Physical Properties

Names and Identifiers

    • homoharringtonamide
    • (4alpha)-O~3~-[(2R)-2,6-dihydroxy-2-(2-methoxy-2-oxoethyl)-6-methylheptanoyl]-8-oxocephalotaxine
    • Cephalotaxine, 8-oxo-, 4-methyl 2-hydroxy-2-(4-hydroxy-4-methypentyl)butanedioate (ester), (3(R))-
    • DTXSID70152580
    • 119767-03-2
    • Inchi: 1S/C29H37NO10/c1-27(2,34)8-5-9-29(35,15-23(32)37-4)26(33)40-25-21(36-3)14-28-10-6-22(31)30(28)11-7-17-12-19-20(39-16-38-19)13-18(17)24(25)28/h12-14,24-25,34-35H,5-11,15-16H2,1-4H3/t24-,25-,28+,29+/m1/s1
    • InChI Key: YOJBNRXCKCTVGL-RZCBTRPQSA-N
    • SMILES: O(C([C@@](CC(=O)OC)(CCCC(C)(C)O)O)=O)[C@@H]1C(=C[C@]23CCC(N2CCC2C=C4C(=CC=2[C@@H]31)OCO4)=O)OC

Computed Properties

  • Exact Mass: 559.24181
  • Monoisotopic Mass: 559.241746
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 10
  • Heavy Atom Count: 40
  • Rotatable Bond Count: 11
  • Complexity: 1040
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 4
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: _0.1
  • Topological Polar Surface Area: 141

Experimental Properties

  • Density: 1.38
  • Boiling Point: 759.1°C at 760 mmHg
  • Flash Point: 412.9°C
  • Refractive Index: 1.611
  • PSA: 141.06
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