Asparaginyl-N-Acetylgalactosamine
[CAS# 100991-94-4]

Identification

• Name: Asparaginyl-N-Acetylgalactosamine
• Synonyms: (2S)-4-[[(3R,4R,5R,6R)-3-Acetamido-4,5-Dihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Amino]-2-Amino-4-Oxo-Butanoic Acid; (2S)-4-[[(3R,4R,5R,6R)-3-Acetamido-4,5-Dihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Amino]-2-Amino-4-Oxobutanoic Acid; (2S)-4-[[(3R,4R,5R,6R)-3-Acetamido-4,5-Dihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Amino]-2-Amino-4-Keto-Butyric Acid
• Molecular Formula: C₁₂H₂₁N₃O₈
• Molecular Weight: 335.31
• CAS Registry Number: 100991-94-4
• SMILES: [C@H]1([C@H]([C@H]([C@H](OC1NC(=O)C[C@@H](C(O)=O)N)CO)O)O)NC(C)=O
• InChI: 1S/C12H21N3O8/c1-4(17)14-8-10(20)9(19)6(3-16)23-11(8)15-7(18)2-5(13)12(21)22/h5-6,8-11,16,19-20H,2-3,13H2,1H3,(H,14,17)(H,15,18)(H,21,22)/t5-,6+,8+,9-,10+,11?/m0/s1
• InChIKey: YTTRPBWEMMPYSW-XCEDPZKTSA-N

Properties

• Density: 1.54g/cm³ (Cal.)
• Boiling point: 818.494°C at 760 mmHg (Cal.)
• Flash point: 448.809°C (Cal.)