N-[[P(S),2′R]-2′-Deoxy-2′-fluoro-2′-methyl-P-phenyl-5′-cytidylyl]-L-alanine 1-methylethyl ester

CAS Registry Number®

1334513-10-8

CAS Name

N-[[P(S),2′R]-2′-Deoxy-2′-fluoro-2′-methyl-P-phenyl-5′-cytidylyl]-L-alanine 1-methylethyl ester

Molecular Formula

C22H30FN4O8P

Molecular Mass

528.47

Cite this Page

N-[[P(S),2′R]-2′-Deoxy-2′-fluoro-2′-methyl-P-phenyl-5′-cytidylyl]-L-alanine 1-methylethyl ester.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1334513-10-8 (retrieved 2024-11-22) (CAS RN: 1334513-10-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    67-95 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C22H30FN4O8P/c1-13(2)33-19(29)14(3)26-36(31,35-15-8-6-5-7-9-15)32-12-16-18(28)22(4,23)20(34-16)27-11-10-17(24)25-21(27)30/h5-11,13-14,16,18,20,28H,12H2,1-4H3,(H,26,31)(H2,24,25,30)/t14-,16+,18+,20+,22+,36-/m0/s1

InChIKey

InChIKey=JMTNHBQFZOWQKE-IQWMDFIBSA-N

SMILES

C[C@]1(F)[C@@H](O[C@H](COP(OC2=CC=CC=C2)(N[C@H](C(OC(C)C)=O)C)=O)[C@H]1O)N3C(=O)N=C(N)C=C3

Canonical SMILES

O=C1N=C(N)C=CN1C2OC(COP(=O)(OC=3C=CC=CC3)NC(C(=O)OC(C)C)C)C(O)C2(F)C

Other Names for this Substance

  • L-Alanine, N-[[P(S),2′R]-2′-deoxy-2′-fluoro-2′-methyl-P-phenyl-5′-cytidylyl]-, 1-methylethyl ester
  • N-[[P(S),2′R]-2′-Deoxy-2′-fluoro-2′-methyl-P-phenyl-5′-cytidylyl]-L-alanine 1-methylethyl ester
  • ZL-01 metabolite M1

CAS INSIGHTSTM
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