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XMP

CAT: 1410-M21243-04Size: 100 mgDry Ice: NoHazardous: No
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CAT#:1410-M21243-04Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
XMP is an intermediate in purine metabolism.
CAS Number
25899-70-1
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
408.17
Molecular Formula
C10H11N4Na2O9P
Notes
Research use only, not for human use.
Receptor
Others

Chemical Information

Sodium ((2R,3S,4R,5R)-5-(2,6-dihydroxy-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl phosphate

See also: 5'-xanthylic acid, disodium salt (annotation moved to).

CAS Number25899-70-1
PubChem CID10287649
IUPAC Namedisodium;[(2R,3S,4R,5R)-5-(2,6-dioxo-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphate
Molecular FormulaC10H11N4Na2O9P
Molecular Weight408.17
Topological Polar Surface Area198
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count10
Rotatable Bond Count3
Heavy Atom Count26
Formal Charge0
Complexity573
SMILES
C1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)([O-])[O-])O)O)NC(=O)NC2=O.[Na+].[Na+]
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
InChIKey
QQPVYRBCIRHGSZ-LGVAUZIVSA-L
Chemical Structure
2D Structure
2D structure of Sodium ((2R,3S,4R,5R)-5-(2,6-dihydroxy-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl phosphate
CAS: 25899-70-1
CID: 10287649
Formula: C10H11N4Na2O9P
MW: 408.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight408.17
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count10
Rotatable Bond Count3
Exact Mass408.00590350
Monoisotopic Mass408.00590350
Topological Polar Surface Area198 Ų
Heavy Atom Count26
Formal Charge0
Complexity573
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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