Cas no 350820-16-5 (estrone-2,4-d2)

estrone-2,4-d2 structure
estrone-2,4-d2 structure
Product Name:estrone-2,4-d2
CAS No:350820-16-5
MF:C18H22O2
MW:272.378408908844
CID:919827
PubChem ID:90472173
Update Time:2025-04-19

estrone-2,4-d2 Chemical and Physical Properties

Names and Identifiers

    • estrone-2,4-d2
    • (3aS,3bR,9bS,11aS)-7-hydroxy-11a-methyl(6,8-?H?)-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-one
    • HY-B0234S1
    • E1-d2
    • CS-0312071
    • 3-Hydroxyestra-1,3,5(10)-trien-17-one-2,4-d2
    • F90858
    • Estra-1,3,5(10)-trien-17-one-2,4-d2, 3-hydroxy-; Estrone-(2,4-D2); 2,4-Dideutero-3-hydroxyestra-1,3,5(10)-trien-17-one; Estrone-2,4-D2; Estrone-d2
    • Estrone-d2
    • DTXSID001259852
    • 350820-16-5
    • (8R,9S,13S,14S)-2,4-dideuterio-3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
    • Inchi: 1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16,19H,2,4,6-9H2,1H3/t14-,15-,16+,18+/m1/s1/i3D,10D
    • InChI Key: DNXHEGUUPJUMQT-HUQKQUBWSA-N
    • SMILES: O=C1CC[C@H]2[C@@H]3CCC4C([2H])=C(C([2H])=CC=4[C@H]3CC[C@@]21C)O

Computed Properties

  • Exact Mass: 272.174533432g/mol
  • Monoisotopic Mass: 272.174533432g/mol
  • Isotope Atom Count: 2
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 0
  • Complexity: 418
  • 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: 3.1
  • Topological Polar Surface Area: 37.3?2

estrone-2,4-d2 Pricemore >>

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