Estra-1,3,5(10)-triene-3,17-diol (17β)-, 17-(dihydrogen phosphate)

CAS Registry Number®

4995-43-1

CAS Name

Estra-1,3,5(10)-triene-3,17-diol (17β)-, 17-(dihydrogen phosphate)

Molecular Formula

C18H25O5P

Molecular Mass

352.36

Cite this Page

Estra-1,3,5(10)-triene-3,17-diol (17β)-, 17-(dihydrogen phosphate).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=4995-43-1 (retrieved 2024-11-22) (CAS RN: 4995-43-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    216-217 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C18H25O5P/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)23-24(20,21)22/h3,5,10,14-17,19H,2,4,6-9H2,1H3,(H2,20,21,22)/t14-,15-,16+,17+,18+/m1/s1

InChIKey

InChIKey=BBWXLCKRYRQQPL-ZBRFXRBCSA-N

SMILES

C[C@@]12[C@]([C@]3([C@@](C=4C(CC3)=CC(O)=CC4)(CC1)[H])[H])(CC[C@@H]2OP(=O)(O)O)[H]

Canonical SMILES

O=P(O)(O)OC1CCC2C3CCC4=CC(O)=CC=C4C3CCC12C

Other Names for this Substance

  • Estra-1,3,5(10)-triene-3,17-diol (17β)-, 17-(dihydrogen phosphate)
  • Estradiol, 17-(dihydrogen phosphate)
  • Estradiol 17β-phosphate
  • Estradiol 17-phosphate

CAS INSIGHTSTM
Targeted protein degrader structure, illustration