1,3-Propanediol, 2-amino-2-[2-(4-octylphenyl)ethyl]-, 1-(dihydrogen phosphate), (2S)-

CAS Registry Number®

402616-26-6

CAS Name

1,3-Propanediol, 2-amino-2-[2-(4-octylphenyl)ethyl]-, 1-(dihydrogen phosphate), (2S)-

Molecular Formula

C19H34NO5P

Molecular Mass

387.45

Cite this Page

1,3-Propanediol, 2-amino-2-[2-(4-octylphenyl)ethyl]-, 1-(dihydrogen phosphate), (2S)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=402616-26-6 (retrieved 2024-11-22) (CAS RN: 402616-26-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    198-199 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C19H34NO5P/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)13-14-19(20,15-21)16-25-26(22,23)24/h9-12,21H,2-8,13-16,20H2,1H3,(H2,22,23,24)/t19-/m0/s1

InChIKey

InChIKey=LRFKWQGGENFBFO-IBGZPJMESA-N

SMILES

C(C[C@@](COP(=O)(O)O)(CO)N)C1=CC=C(CCCCCCCC)C=C1

Canonical SMILES

O=P(O)(O)OCC(N)(CO)CCC1=CC=C(C=C1)CCCCCCCC

Other Names for this Substance

  • 1,3-Propanediol, 2-amino-2-[2-(4-octylphenyl)ethyl]-, 1-(dihydrogen phosphate), (2S)-
  • 1,3-Propanediol, 2-amino-2-[2-(4-octylphenyl)ethyl]-, mono(dihydrogen phosphate) (ester), (2S)-
  • (+)-(S)-FTY 720 phosphate
  • (S)-FTY 720P
  • (S)-2-Amino-2-(hydroxymethyl)-4-(4-octylphenyl)butyl dihydrogen phosphate

CAS INSIGHTSTM
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