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Uridine-5'-diphosphoglucose disodium salt(CAS No. 27821-45-0)

Uridine-5'-diphosphoglucose disodium salt C9H12N2Na2O12P2 (cas 27821-45-0) Molecular Structure

27821-45-0 Structure

Identification and Related Records

【Name】
Uridine-5'-diphosphoglucose disodium salt
【Iupac name】
disodium
[[(2R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,
4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphate
【CAS Registry number】
27821-45-0
【Synonyms】
disodium [(2R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-phosphonatooxy-phosphinic acid
Uridine 5-(trihydrogen diphosphate), disodium salt
Uridine-5-diphosphoglucose disodium salt
Uridine-5'-Diphosphate Disodium (Udp)
Uridine-5'-diphosphate disodium salt
Uridine 5'-(trihydrogen diphosphate), disodium salt
Uridine-5'-diphosphate disodium(UDP)
【EINECS(EC#)】
248-678-9
【Molecular Formula】
C9H12N2Na2O12P2 (Products with the same molecular formula)
【Molecular Weight】
448.12
【Inchi】
InChI=1/C9H14N2O12P2.2Na/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18;;/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,10,12,15)(H2,16,17,18);;/q;2*+1/p-2/t4-,6?,7?,8-;;/m1../s1
【Canonical SMILES】
C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)OP(=O)([O-])[O-])O)O.[Na+].[Na+]
【Isomers smiles】
C1=CN(C(=O)NC1=O)[C@H]2C(C([C@H](O2)COP(=O)(O)OP(=O)([O-])[O-])O)O.[Na+]
.[Na+]
【MOL File】
27821-45-0.mol

Chemical and Physical Properties

【Appearance】
White fine crystals
【Density】
g/cm3
【Boiling Point】
°Cat760mmHg
【Flash Point】
°C
【Storage temp】
−20°C
【Computed Properties】
Molecular Weight:448.124842 [g/mol]
Molecular Formula:C9H12N2Na2O12P2
H-Bond Donor:4
H-Bond Acceptor:12
Rotatable Bond Count:5
Tautomer Count:3
Exact Mass:447.966086
MonoIsotopic Mass:447.966086
Topological Polar Surface Area:218
Heavy Atom Count:27
Formal Charge:0
Complexity:664
Isotope Atom Count:0
Defined Atom Stereocenter Count:2
Undefined Atom Stereocenter Count:2
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:3

Safety and Handling

【Hazard Codes】
Xi: Irritant;
【Risk Statements】
R36/37/38
【Safety Statements 】
S26
【Safety】

Hazard Codes: IrritantXi
Risk Statements: 36/37/38 
R36/37/38: Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36: Wear suitable protective clothing.
WGK Germany: 3
F: 10-21

Biomedical Effects and Toxicity

【Biological Activity】
Endogenous P2Y receptor agonist which preferentially activates P2Y 6 . Shown to be a competitive antagonist at P2Y 14 receptors.

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