 Home > Encyclopedia > (2R,4S,5R,6R)-5-acetamido-4-hydroxy-2-pyridin-1-ium-1-yl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate

(2R,4S,5R,6R)-5-acetamido-4-hydroxy-2-pyridin-1-ium-1-yl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate

(2R,4S,5R,6R)-5-acetamido-4-hydroxy-2-pyridin-1-ium-1-yl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate structure

CAS No:
300594-81-4
Formula:
C16H22N2O8
Chemical Name:
(2R,4S,5R,6R)-5-acetamido-4-hydroxy-2-pyridin-1-ium-1-yl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate
Synonyms:
NeuNAc_pyridine;300594-81-4;DTXSID20349362;Pyridinium, 1-(N-acetyl-alpha-neuraminosyl)-, inner salt (9CI)

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(2R,4S,5R,6R)-5-acetamido-4-hydroxy-2-pyridin-1-ium-1-yl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate Basic Attributes

Molecular Weight：

370.35 g/mol

Exact Mass：

370.13761566 g/mol

DSSTox ID：

DTXSID20349362

Characteristics

PSA：

163 Å²

Computed Properties

Molecular Weight:370.35
XLogP3:-1.3
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:5
Exact Mass:370.13761566
Monoisotopic Mass:370.13761566
Topological Polar Surface Area:163
Heavy Atom Count:26
Complexity:507
Defined Atom Stereocenter Count:6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of (2R,4S,5R,6R)-5-acetamido-4-hydroxy-2-pyridin-1-ium-1-yl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate

Basic Attributes
Characteristics
Computed Properties

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