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HMK22769

CAT: 0931-T202056-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T202056-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2659222-76-9
Target
CD73
Related Pathways
Immunology/Inflammation
Bioactivity
Adenosine 5'-methylenediphosphate (sodium salt) is also referred to as an inhibitor of ecto-5'-nucleotidase.
Smiles
O[C@H]1[C@@H](O[C@@H]([C@H]1O)COP(CP([O-])([O-])=O)([O-])=O)N2C3=NC=NC(N)=C3N=C2.[Na+].[Na+].[Na+]
Molecular Formula
C11H14N5Na3O9P2
Molecular Weight
491.17
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Adenosine 5'-methylenediphosphate (sodium salt)
CAS Number2659222-76-9
PubChem CID168310606
IUPAC Nametrisodium;[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-(phosphonatomethyl)phosphinate
Molecular FormulaC11H14N5Na3O9P2
Molecular Weight491.17
Topological Polar Surface Area232
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count13
Rotatable Bond Count5
Heavy Atom Count30
Formal Charge0
Complexity618
SMILES
C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(CP(=O)([O-])[O-])[O-])O)O)N.[Na+].[Na+].[Na+]
InChI
InChI=1S/C11H17N5O9P2.3Na/c12-9-6-10(14-2-13-9)16(3-15-6)11-8(18)7(17)5(25-11)1-24-27(22,23)4-26(19,20)21;;;/h2-3,5,7-8,11,17-18H,1,4H2,(H,22,23)(H2,12,13,14)(H2,19,20,21);;;/q;3*+1/p-3/t5-,7-,8-,11-;;;/m1.../s1
InChIKey
HFZIEMSAEKBTDI-MTQUBGKESA-K
Chemical Structure
2D Structure
2D structure of Adenosine 5'-methylenediphosphate (sodium salt)
CAS: 2659222-76-9
CID: 168310606
Formula: C11H14N5Na3O9P2
MW: 491.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight491.17
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count13
Rotatable Bond Count5
Exact Mass490.99598388
Monoisotopic Mass490.99598388
Topological Polar Surface Area232 Ų
Heavy Atom Count30
Formal Charge0
Complexity618
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count4
Compound Is CanonicalizedYes

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CatalogName
GTR19242500-01HMK22769

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