854868-72-7
XANTHINE, 7-ACETYL-8-HYDROXY-1-METHYL-, ACETATE
NameXANTHINE, 7-ACETYL-8-HYDROXY-1-METHYL-, ACETATE
1Identification
【Name】
XANTHINE, 7-ACETYL-8-HYDROXY-1-METHYL-, ACETATE
【CAS】
【MDL】
MFCD16878048
【English Synonyms】
【Formula】
C10H12N4O6
【MolWeight】
284.227
【Inchi】
InChI=1S/C8H8N4O4.C2H4O2/c1-3(13)12-4-5(10-8(12)16)9-7(15)11(2)6(4)14;1-2(3)4/h1-2H3,(H,9,15)(H,10,16);1H3,(H,3,4)
【InChIKey】
InChIKey=SLGPNGCRWXNZQP-UHFFFAOYSA-N
【SMILES】
C(C)(=O)O.C(C)(=O)N1C(=NC=2NC(N(C(C12)=O)C)=O)O
【MOL File】
XANTHINE, 7-ACETYL-8….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:8
XLogP3:-0.9878
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
XANTHINE, 7-ACETYL-8-HYDROXY-1-METHYL-, ACETATE.cml