Thomsen-friedenreich antigen

N-[(2R,3R,4S,5R)-4,5,6-trihydroxy-1-oxo-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide

CAS: 3554-90-3

Molecular Formula	`C14H25NO11`
Molecular Weight	383.35 g/mol
LogP	-5.0
Topological Polar Surface Area	206.0 A2
Hydrogen Bond Donors	8
Hydrogen Bond Acceptors	11
Rotatable Bonds	9
Exact Mass	383.14276
Heavy Atoms	26
Complexity	464.0

Chemical Identifiers

CAS Number	3554-90-3
SMILES	`CC(=O)NC(C=O)C(C(C(CO)O)O)OC1C(C(C(C(O1)CO)O)O)O`
InChIKey	`QCQYVCMYGCHVMR-AAZUGDAUSA-N`

📖 Product Overview

Thomsen-friedenreich antigen (CAS: 3554-90-3) is a chemical compound with molecular formula C14H25NO11 and molecular weight 383.35 g/mol. Its IUPAC systematic name is N-[(2R,3R,4S,5R)-4,5,6-trihydroxy-1-oxo-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide. LogP -5.0 Topological Polar Surface Area 206.0 A2 Hydrogen Bond Donors 8 Hydrogen Bond Acceptors 11 Rotatable Bonds 9 Exact Mass 383.14276 Heavy Atoms 26 Complexity 464.0 InChI Key: QCQYVCMYGCHVMR-AAZUGDAUSA-N. SMILES: CC(=O)NC(C=O)C(C(C(CO)O)O)OC1C(C(C(C(O1)CO)O)O)O.

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