Search Result : Detailed Informations

Low Mol Weight Allergen Name	CAS#	CID
Calcium inosinate	38966-29-9	5745915

Structure

Other Information

Canonical SMILES	C1=NC(=O)C2=C(N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)O)O)O
Iso SMILES	C1=NC(=O)C2=C(N1)N(C=N2)[C@H]3[C@@H]([C@H]([C@@H](O3)COP(=O)(O)O)O)O
InChI	InChI=1S/C10H13N4O8P/c15-6-4(1-21-23(18,19)20)22-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)17/h2-4,6-7,10,15-16H,1H2,(H,11,12,17)(H2,18,19,20)/t4-,6-,7+,10+/m0/s1
InChI Key	GRSZFWQUAKGDAV-FCIPNVEPSA-N
Formula	C10H13N4O8P
Mol Weight	348.206
XlogP3	-3.7
Charge	0

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Synonyms Information

CAS Name	[(2S,3R,4R,5R)-3,4-dihydroxy-5-(6-oxo-3H-purin-9-yl)-2-oxolanyl]methyl dihydrogen phosphate
IUPAC Name	[(2S,3R,4R,5R)-3,4-dihydroxy-5-(6-oxo-3H-purin-9-yl)tetrahydrofuran-2-yl]methyl dihydrogen phosphate
Openeye Name	[(2S,3R,4R,5R)-3,4-dihydroxy-5-(6-oxo-3H-purin-9-yl)oxolan-2-yl]methyl dihydrogen phosphate
Systematic Name	[(2S,3R,4R,5R)-3,4-bis(oxidanyl)-5-(6-oxidanylidene-3H-purin-9-yl)oxolan-2-yl]methyl dihydrogen phosphate
Tratitional Name	[(2S,3R,4R,5R)-3,4-bis(oxidanyl)-5-(6-oxidanylidene-3H-purin-9-yl)oxolan-2-yl]methyl dihydrogen phosphate