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209977-53-7 | D-glycero-D-galacto-Non-2-enonic acid, 5-(acetylamino)-2,6-anhydro-3,5-dideoxy-, sodium salt (1:1)
CAS No: 209977-53-7 Catalog No: AG002KHO MDL No:
Product Description
Catalog Number:
AG002KHO
Chemical Name:
D-glycero-D-galacto-Non-2-enonic acid, 5-(acetylamino)-2,6-anhydro-3,5-dideoxy-, sodium salt (1:1)
CAS Number:
209977-53-7
Molecular Formula:
C11H16NNaO8
Molecular Weight:
313.2364
IUPAC Name:
sodium;3-acetamido-4-hydroxy-2-[(1R,2R)-1,2,3-trihydroxypropyl]-3,4-dihydro-2H-pyran-6-carboxylate
InChI:
InChI=1S/C11H17NO8.Na/c1-4(14)12-8-5(15)2-7(11(18)19)20-10(8)9(17)6(16)3-13;/h2,5-6,8-10,13,15-17H,3H2,1H3,(H,12,14)(H,18,19);/q;+1/p-1/t5?,6-,8?,9-,10?;/m1./s1
InChI Key:
DQNKELIJSZBCBE-DHWIPPHDSA-M
SMILES:
OC[C@H]([C@H]([C@@H]1OC(=C[C@@H]([C@H]1NC(=O)C)O)C(=O)[O-])O)O.[Na+]
Properties
Complexity:
415
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
313.077g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
313.238g/mol
Monoisotopic Mass:
313.077g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
159A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
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