1-[2-[(2S,4S)-4-[(2,6-Dideoxy-2-fluoro-α-L-talopyranosyl)oxy]-1,2,3,4,6,11-hexahydro-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-2-naphthacenyl]-2-oxoethyl] heptanedioate

CAS Registry Number®

116521-53-0

CAS Name

1-[2-[(2S,4S)-4-[(2,6-Dideoxy-2-fluoro-α-L-talopyranosyl)oxy]-1,2,3,4,6,11-hexahydro-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-2-naphthacenyl]-2-oxoethyl] heptanedioate

Molecular Formula

C34H37FO15

Molecular Mass

704.65

Cite this Page

1-[2-[(2S,4S)-4-[(2,6-Dideoxy-2-fluoro-α-L-talopyranosyl)oxy]-1,2,3,4,6,11-hexahydro-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-2-naphthacenyl]-2-oxoethyl] heptanedioate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=116521-53-0 (retrieved 2024-11-22) (CAS RN: 116521-53-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    108-113 °C

Source(s)

  • (1) Denotes property values from the ZIC/VINITI data file provided by InfoChem.

Other Names and Identifiers

InChI

InChI=1S/C34H37FO15/c1-14-27(40)32(45)26(35)33(49-14)50-18-12-34(46,19(36)13-48-21(39)10-5-3-4-9-20(37)38)11-16-23(18)31(44)25-24(29(16)42)28(41)15-7-6-8-17(47-2)22(15)30(25)43/h6-8,14,18,26-27,32-33,40,42,44-46H,3-5,9-13H2,1-2H3,(H,37,38)/t14-,18-,26+,27+,32-,33-,34-/m0/s1

InChIKey

InChIKey=PQMIPLRIRFVQJZ-QBYYVRQOSA-N

SMILES

OC=1C2=C([C@@H](O[C@H]3[C@H](F)[C@H](O)[C@H](O)[C@H](C)O3)C[C@@](C(COC(CCCCCC(O)=O)=O)=O)(O)C2)C(O)=C4C1C(=O)C=5C(C4=O)=C(OC)C=CC5

Canonical SMILES

O=C(O)CCCCCC(=O)OCC(=O)C1(O)CC2=C(O)C=3C(=O)C=4C=CC=C(OC)C4C(=O)C3C(O)=C2C(OC5OC(C)C(O)C(O)C5F)C1

Other Names for this Substance

  • Heptanedioic acid, 1-[2-[(2S,4S)-4-[(2,6-dideoxy-2-fluoro-α-L-talopyranosyl)oxy]-1,2,3,4,6,11-hexahydro-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-2-naphthacenyl]-2-oxoethyl] ester
  • Heptanedioic acid, mono[2-[4-[(2,6-dideoxy-2-fluoro-α-L-talopyranosyl)oxy]-1,2,3,4,6,11-hexahydro-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-2-naphthacenyl]-2-oxoethyl] ester, (2S-cis)-
  • Heptanedioic acid, mono[2-[(2S,4S)-4-[(2,6-dideoxy-2-fluoro-α-L-talopyranosyl)oxy]-1,2,3,4,6,11-hexahydro-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-2-naphthacenyl]-2-oxoethyl] ester
  • 1-[2-[(2S,4S)-4-[(2,6-Dideoxy-2-fluoro-α-L-talopyranosyl)oxy]-1,2,3,4,6,11-hexahydro-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-2-naphthacenyl]-2-oxoethyl] heptanedioate
  • FAD 104

View All

Deleted or Replaced CAS Registry Numbers

262281-26-5

CAS INSIGHTSTM
Targeted protein degrader structure, illustration