Cas no 81586-94-9 (17a-Estradiol-2,4-d2)

17a-Estradiol-2,4-d2 structure
17a-Estradiol-2,4-d2 structure
Product Name:17a-Estradiol-2,4-d2
CAS No:81586-94-9
MF:C18H24O2
MW:274.394289016724
CID:720915
PubChem ID:90477423
Update Time:2024-10-27

17a-Estradiol-2,4-d2 Chemical and Physical Properties

Names and Identifiers

    • Estra-1,3,5(10)-triene-2,4-d2-3,17-diol,(17a)- (9CI)
    • Alpha-Estradiol-d2
    • (17α)-Estra-1,3,5(10)-triene-2,4-d2-3,17-diol (ACI)
    • 17alpha-Estradiol D2 (2,4-D2)
    • 81586-94-9
    • Estra-1,3,5(10)-triene-2,4-d2-3,17-diol, (17alpha)-; (17alpha)-Estra-1,3,5(10)-triene-2,4-d2-3,17-diol; 17alpha-Estradiol D2 (2,4 D2)
    • HY-B0141AS1
    • (8R,9S,13S,14S,17R)-2,4-dideuterio-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
    • 17a-Estradiol-2,4-d2
    • F90849
    • CS-0437777
    • 17ALPHA-ESTRADIOL-2,4-D2
    • Estra-1,3,5(10)-triene-2,4-d2-3,17-diol, (17.alpha.)-
    • MS-23905
    • Inchi: 1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17-,18+/m1/s1/i3D,10D
    • InChI Key: VOXZDWNPVJITMN-BHOSFUFTSA-N
    • SMILES: C[C@@]12[C@H](O)CC[C@H]1[C@@H]1CCC3C([2H])=C(C([2H])=CC=3[C@H]1CC2)O

Computed Properties

  • Exact Mass: 274.190183496g/mol
  • Monoisotopic Mass: 274.190183496g/mol
  • Isotope Atom Count: 2
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 0
  • Complexity: 382
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 5
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 4
  • Topological Polar Surface Area: 40.5?2

17a-Estradiol-2,4-d2 Pricemore >>

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