SAICAR

CAS Registry Number®

3031-95-6

CAS Name

SAICAR

Molecular Formula

C13H19N4O12P

Molecular Mass

454.28

Cite this Page

SAICAR.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=3031-95-6 (retrieved 2024-11-23) (CAS RN: 3031-95-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C13H19N4O12P/c14-10-7(11(22)16-4(13(23)24)1-6(18)19)15-3-17(10)12-9(21)8(20)5(29-12)2-28-30(25,26)27/h3-5,8-9,12,20-21H,1-2,14H2,(H,16,22)(H,18,19)(H,23,24)(H2,25,26,27)/t4-,5+,8+,9+,12+/m0/s1

InChIKey

InChIKey=NAQGHJTUZRHGAC-ZZZDFHIKSA-N

SMILES

NC=1N(C=NC1C(N[C@@H](CC(O)=O)C(O)=O)=O)[C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O

Canonical SMILES

O=C(O)CC(NC(=O)C=1N=CN(C1N)C2OC(COP(=O)(O)O)C(O)C2O)C(=O)O

Other Names for this Substance

  • L-Aspartic acid, N-[[5-amino-1-(5-O-phosphono-β-D-ribofuranosyl)-1H-imidazol-4-yl]carbonyl]-
  • Aspartic acid, N-[(5-amino-1-β-D-ribofuranosylimidazol-4-yl)carbonyl]-, 5′-(dihydrogen phosphate), L-
  • N-[[5-Amino-1-(5-O-phosphono-β-D-ribofuranosyl)-1H-imidazol-4-yl]carbonyl]-L-aspartic acid
  • N-[5-Amino-1-(5′-phosphoribofuranosyl)-4-imidazolecarbonyl]aspartic acid
  • N-(5-Amino-1-ribofuranosylimidazol-4-ylcarbonyl)aspartic acid 5′-phosphate

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