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91183-98-1 | Uridine 5-Diphospho-N-acetylglucosamine Sodium Salt
CAS No: 91183-98-1 Catalog No: AG003VA4 MDL No:MFCD00799985
Product Description
Catalog Number:
AG003VA4
Chemical Name:
Uridine 5-Diphospho-N-acetylglucosamine Sodium Salt
CAS Number:
91183-98-1
Molecular Formula:
C17H25N3Na2O17P2
Molecular Weight:
651.3174
MDL Number:
MFCD00799985
IUPAC Name:
disodium;[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] [[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] phosphate
InChI:
InChI=1S/C17H27N3O17P2.2Na/c1-6(22)18-10-13(26)11(24)7(4-21)35-16(10)36-39(31,32)37-38(29,30)33-5-8-12(25)14(27)15(34-8)20-3-2-9(23)19-17(20)28;;/h2-3,7-8,10-16,21,24-27H,4-5H2,1H3,(H,18,22)(H,29,30)(H,31,32)(H,19,23,28);;/q;2*+1/p-2/t7-,8-,10-,11-,12-,13-,14-,15-,16-;;/m1../s1
InChI Key:
HXWKMJZFIJNGES-YZVFIFBQSA-L
SMILES:
OC[C@H]1O[C@H](OP(=O)(OP(=O)(OC[C@H]2O[C@H]([C@@H]([C@@H]2O)O)n2ccc(=O)[nH]c2=O)[O-])[O-])[C@@H]([C@H]([C@@H]1O)O)NC(=O)C.[Na+].[Na+]
EC Number:
293-820-5
Properties
Complexity:
1060
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
9
Defined Bond Stereocenter Count:
0
Exact Mass:
651.045g/mol
Formal Charge:
0
Heavy Atom Count:
41
Hydrogen Bond Acceptor Count:
17
Hydrogen Bond Donor Count:
7
Isotope Atom Count:
0
Molecular Weight:
651.318g/mol
Monoisotopic Mass:
651.045g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
306A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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