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5-OMe-UDP trisodium salt

CAT: 0931-T22525-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T22525-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1207530-98-0
Target
Others, P2Y Receptor
Related Pathways
Neuroscience, GPCR/G Protein, Others
Bioactivity
Potent P2Y6 agonist
Smiles
O[C@H]1[C@@H](O[C@H](COP(OP(=O)(O)O)(=O)O)[C@H]1O)N2C=C(OC)C(=O)NC2=O
Molecular Formula
C10H16N2O13P2
Molecular Weight
434.19
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

5-OMe-UDP trisodium salt
CAS Number1207530-98-0
PubChem CID90488936
IUPAC Nametrisodium;[[(2R,3S,4R,5R)-5-(2,6-dihydroxy-5-methoxy-3-methyl-1,3-diazinan-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] phosphate
Molecular FormulaC11H21N2Na3O13P2
Molecular Weight520.21
Topological Polar Surface Area228
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count15
Rotatable Bond Count6
Heavy Atom Count31
Formal Charge0
Complexity614
SMILES
CN1CC(C(N(C1O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])OP(=O)([O-])[O-])O)O)O)OC.[Na+].[Na+].[Na+]
InChI
InChI=1S/C11H24N2O13P2.3Na/c1-12-3-5(23-2)9(16)13(11(12)17)10-8(15)7(14)6(25-10)4-24-28(21,22)26-27(18,19)20;;;/h5-11,14-17H,3-4H2,1-2H3,(H,21,22)(H2,18,19,20);;;/q;3*+1/p-3/t5?,6-,7-,8-,9?,10-,11?;;;/m1.../s1
InChIKey
IGMOCSFADHRLMQ-QAUZTDKFSA-K
Chemical Structure
2D Structure
2D structure of 5-OMe-UDP trisodium salt
CAS: 1207530-98-0
CID: 90488936
Formula: C11H21N2Na3O13P2
MW: 520.21
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight520.21
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count15
Rotatable Bond Count6
Exact Mass520.02119557
Monoisotopic Mass520.02119557
Topological Polar Surface Area228 Ų
Heavy Atom Count31
Formal Charge0
Complexity614
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count3
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count4
Compound Is CanonicalizedYes

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