3031-95-6

Name (2S)-2-[[5-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(phosphonooxymethyl)oxolan-2-yl]imidazole-4-carbonyl]amino]butanedioic acid
CAS 3031-95-6
Molecular Formula C13H19N4O12P
MDL Number MFCD28336164
Molecular Weight 454.28
MOL File 3031-95-6.mol
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Chemical Properties

Melting point  >189°C (dec.)
density  2.18±0.1 g/cm3(Predicted)
storage temp.  Hygroscopic, -20°C Freezer, Under inert atmosphere
solubility  Methanol (Slightly), Water (Slightly)
form  Solid
pka 1.86±0.10(Predicted)
color  White to Off-White
biological source synthetic
Stability: Hygroscopic
Major Application metabolomics
InChIKey NAQGHJTUZRHGAC-ZZZDFHIKSA-N
SMILES NC1=C(N=CN1[C@H]2[C@H](O)[C@H](O)[C@@H](COP(O)(O)=O)O2)C(N[C@@H](CC(O)=O)C(O)=O)=O

Safety Data

WGK Germany  WGK 3
Storage Class 11 - Combustible Solids

Hazard Information

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