rel-P-[(2R,3S)-3-(2-Amino-3,4,7,8-tetrahydro-4-oxo-6-pteridinyl)-2,3-dihydroxypropyl] tetrahydrogen triphosphate

CAS Registry Number®

20574-65-6

CAS Name

rel-P-[(2R,3S)-3-(2-Amino-3,4,7,8-tetrahydro-4-oxo-6-pteridinyl)-2,3-dihydroxypropyl] tetrahydrogen triphosphate

Molecular Formula

C9H16N5O13P3

Molecular Mass

495.17

Cite this Page

rel-P-[(2R,3S)-3-(2-Amino-3,4,7,8-tetrahydro-4-oxo-6-pteridinyl)-2,3-dihydroxypropyl] tetrahydrogen triphosphate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=20574-65-6 (retrieved 2024-11-22) (CAS RN: 20574-65-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1/C9H16N5O13P3/c10-9-13-7-5(8(17)14-9)12-3(1-11-7)6(16)4(15)2-25-29(21,22)27-30(23,24)26-28(18,19)20/h4,6,15-16H,1-2H2,(H,21,22)(H,23,24)(H2,18,19,20)(H4,10,11,13,14,17)/t4-,6+/s2

InChIKey

InChIKey=DGGUVLXVLHAAGT-CLISUWTPNA-N

SMILES

O=C1C2=C(NCC([C@@H]([C@@H](COP(OP(OP(=O)(O)O)(=O)O)(=O)O)O)O)=N2)NC(N)=N1

Canonical SMILES

O=C1N=C(N)NC=2NCC(=NC12)C(O)C(O)COP(=O)(O)OP(=O)(O)OP(=O)(O)O

Other Names for this Substance

  • Triphosphoric acid, P-[(2R,3S)-3-(2-amino-3,4,7,8-tetrahydro-4-oxo-6-pteridinyl)-2,3-dihydroxypropyl] ester, rel-
  • 1,2,3-Propanetriol, 1-(2-amino-7,8-dihydro-4-hydroxy-6-pteridinyl)-, 3-(tetrahydrogen triphosphate), erythro-
  • Triphosphoric acid, P-[3-(2-amino-1,4,7,8-tetrahydro-4-oxo-6-pteridinyl)-2,3-dihydroxypropyl] ester, (R*,S*)-
  • Triphosphoric acid, P-[(2R,3S)-3-(2-amino-1,4,7,8-tetrahydro-4-oxo-6-pteridinyl)-2,3-dihydroxypropyl] ester, rel-
  • rel-P-[(2R,3S)-3-(2-Amino-3,4,7,8-tetrahydro-4-oxo-6-pteridinyl)-2,3-dihydroxypropyl] tetrahydrogen triphosphate

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CAS INSIGHTSTM
Targeted protein degrader structure, illustration