AG0035SR

25899-70-1 | 5'-XANTHYLIC ACID, SODIUM SALT (1:2)

AG0035SR

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CAS Number	25899-70-1
Catalog Number	AG0035SR(AGN-PC-0R1RWO)
Chemical Name	5'-XANTHYLIC ACID, SODIUM SALT (1:2)
EC Number	247-324-0
IUPAC Name	disodium;[(2R,3S,4R,5R)-5-(2,6-dioxo-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphate
InChI	InChI=1S/C10H13N4O9P.2Na/c15-5-3(1-22-24(19,20)21)23-9(6(5)16)14-2-11-4-7(14)12-10(18)13-8(4)17;;/h2-3,5-6,9,15-16H,1H2,(H2,19,20,21)(H2,12,13,17,18);;/q;2*+1/p-2/t3-,5-,6-,9-;;/m1../s1
InChI Key	QQPVYRBCIRHGSZ-LGVAUZIVSA-L
MDL Number	MFCD00037982
Molecular Formula	C10H11N4Na2O9P
Molecular Weight	408.1690
SMILES	O=c1[nH]c(=O)c2c([nH]1)n(cn2)[C@@H]1O[C@@H]([C@H]([C@H]1O)O)COP(=O)([O-])[O-].[Na+].[Na+]
Synonyms	25899-70-1, Xanthosine 5'-monophosphate disodium salt, Xmp Disodium salt, Sodium ((2R,3S,4R,5R)-5-(2,6-dihydroxy-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl phosphate, 5'-Xanthylic acid, disodium salt, XMP, SCHEMBL20266265, CTK8F0256, 5'-Xanthylic Acid Disodium Salt, MFCD00037982, AKOS028109599, 5'-Xanthylic acid sodium salt (1:2), Xanthosine 5-monophosphate disodium salt, FT-0675872, Xanthosine 5'-monophosphate disodium salt, >=85%, J-016168, Xanthosine 5 inverted exclamation mark -Monophosphate Disodium Salt, Xanthosine 5 inverted exclamation marka-monophosphate disodium salt, sodium ((2R,3S,4R,5R)-5-(2,6-dioxo-2,3-dihydro-1H-purin-9(6H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl phosphate, D0ST0H, C10H13N4O9P.2Na, EINECS 247-324-0, C10-H13-N4-O9-P.2Na, CID10287649, xanthosine-5'-monophosphate disodium salt, XANTHOSINE5'-MONOPHOSPHATEDISODIUMSALT, Disodium 9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(phosphonatooxymethyl)oxolan-2-yl]-3H-purine-2,6-dione, sodium ((2R,3S,4R,5R)-5-(2,6-dihydroxy-9H-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl)methyl phosphate,

Complexity	573
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	3
Defined Atom Stereocenter Count	4
Defined Bond Stereocenter Count	0
Exact Mass	408.006g/mol
Formal Charge	0
Heavy Atom Count	26
Hydrogen Bond Acceptor Count	10
Hydrogen Bond Donor Count	4
Isotope Atom Count	0
Molecular Weight	408.17g/mol
Monoisotopic Mass	408.006g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	198A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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