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

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

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

CAS No:
300595-01-1
Formula:
C17H24N2O8
Chemical Name:
(2R,4S,5R,6R)-5-acetamido-4-hydroxy-2-(3-methylpyridin-1-ium-1-yl)-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate
Synonyms:
NeuNAc-3-methylpyridine;300595-01-1;DTXSID80349363;Pyridinium, 1-(N-acetyl-alpha-neuraminosyl)-3-methyl-, inner salt (9CI)

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

Molecular Weight：

384.4 g/mol

Exact Mass：

384.15326573 g/mol

DSSTox ID：

DTXSID80349363

Characteristics

PSA：

163 Å²

Computed Properties

Molecular Weight:384.4
XLogP3:-0.9
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:5
Exact Mass:384.15326573
Monoisotopic Mass:384.15326573
Topological Polar Surface Area:163
Heavy Atom Count:27
Complexity:542
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-(3-methylpyridin-1-ium-1-yl)-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate

Basic Attributes
Characteristics
Computed Properties

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