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209977-53-7

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Basic Information
CAS No.: 209977-53-7
Name: N-ACETYL-2,3-DEHYDRO-2-DEOXYNEURAMINIC ACID SODIUM SALT
Molecular Structure:
Molecular Structure of 209977-53-7 (N-ACETYL-2,3-DEHYDRO-2-DEOXYNEURAMINIC ACID SODIUM SALT)
Formula: C11H16NNaO8
Molecular Weight: 313.24
Synonyms: Sodium (2S,3R,4R)-3-acetamido-4-hydroxy-2-[(1R,2R)-1,2,3-trihydroxypropyl]-3,4-dihydro-2H-pyran-6-carboxylate;
Melting Point: 227-228 °C (dec.)
Appearance: white-to-off-white crystalline solid
PSA: 159.38000
LogP: -4.01040
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Specification

The D-Glycero-D-galacto-Non-2-enonicacid, 5-(acetylamino)-2, 6-anhydro-3, 5-dideoxy-, monosodium salt (9CI), with the CAS registry number 209977-53-7, belongs to the product categories of Carbohydrates & Derivatives; Glycosidase Inhibitors; Inhibitors. This chemical's molecular formula is C11H16NNaO8 and molecular weight is 313.24. What's more, its systematic name is Sodium (2S, 3R, 4R)-3-acetamido-4-hydroxy-2-[(1R, 2R)-1, 2, 3-trihydroxypropyl]-3, 4-dihydro-2H-pyran-6-carboxylate. Besides, this chemical is a inhibitor of bacterial, animal and viral sialidases.

Physical properties about D-Glycero-D-galacto-Non-2-enonicacid, 5-(acetylamino)-2, 6-anhydro-3, 5-dideoxy-, monosodium salt (9CI) are: (1)#H bond acceptors: 9; (2)#H bond donors: 6; (3)#Freely Rotating Bonds: 9; (4)Polar Surface Area: 159.38 Å2.

You can still convert the following datas into molecular structure:
(1) SMILES: CC(=O)NC1C(C=C(OC1C(C(CO)O)O)C(=O)[O-])O.[Na+]
(2) InChI: InChI=1/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
(3) InChIKey: DQNKELIJSZBCBE-RGHTYRJNBD