(2R,3R)-2-[(2,2-Dichloroacetyl)amino]-3-hydroxy-3-(4-nitrophenyl)propyl octadecanoate

CAS Registry Number®

16255-48-4

CAS Name

(2R,3R)-2-[(2,2-Dichloroacetyl)amino]-3-hydroxy-3-(4-nitrophenyl)propyl octadecanoate

Molecular Formula

C29H46Cl2N2O6

Molecular Mass

589.59

Cite this Page

(2R,3R)-2-[(2,2-Dichloroacetyl)amino]-3-hydroxy-3-(4-nitrophenyl)propyl octadecanoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=16255-48-4 (retrieved 2024-11-21) (CAS RN: 16255-48-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    97-98 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C29H46Cl2N2O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26(34)39-22-25(32-29(36)28(30)31)27(35)23-18-20-24(21-19-23)33(37)38/h18-21,25,27-28,35H,2-17,22H2,1H3,(H,32,36)/t25-,27-/m1/s1

InChIKey

InChIKey=IDWDXHQLOMJDRU-XNMGPUDCSA-N

SMILES

[C@@H]([C@@H](COC(CCCCCCCCCCCCCCCCC)=O)NC(C(Cl)Cl)=O)(O)C1=CC=C(N(=O)=O)C=C1

Canonical SMILES

O=C(OCC(NC(=O)C(Cl)Cl)C(O)C1=CC=C(C=C1)N(=O)=O)CCCCCCCCCCCCCCCCC

Other Names for this Substance

  • Octadecanoic acid, (2R,3R)-2-[(2,2-dichloroacetyl)amino]-3-hydroxy-3-(4-nitrophenyl)propyl ester
  • Stearic acid, α-ester with D-threo-(-)-2,2-dichloro-N-[β-hydroxy-α-(hydroxymethyl)-p-nitrophenethyl]acetamide
  • Octadecanoic acid, 2-[(dichloroacetyl)amino]-3-hydroxy-3-(4-nitrophenyl)propyl ester, [R-(R*,R*)]-
  • Stearic acid, α-ester with 2,2-dichloro-N-[β-hydroxy-α-(hydroxymethyl)-p-nitrophenethyl]acetamide
  • Octadecanoic acid, (2R,3R)-2-[(dichloroacetyl)amino]-3-hydroxy-3-(4-nitrophenyl)propyl ester

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Deleted or Replaced CAS Registry Numbers

1301-78-6

CAS INSIGHTSTM
Targeted protein degrader structure, illustration