Acetylgalactosamine - Compound Summary (CID 84265)
The N-acetyl derivative of galactosamine.
  Table of Contents
 Drug and Chemical Information: (Total:1)
 Properties Computed from Structure:
| Molecular Weight | 221.2078 [g/mol] | | Molecular Formula | C8H15NO6 | | XLogP3 | -1.7 | | H-Bond Donor | 5 | | H-Bond Acceptor | 6 | | Rotatable Bond Count | 2 | | Tautomer Count | 2 | | Exact Mass | 221.089937 | | MonoIsotopic Mass | 221.089937 | | Topological Polar Surface Area | 119 | | Heavy Atom Count | 15 | | Formal Charge | 0 | | Complexity | 235 | | Isotope Atom Count | 0 | | Defined Atom StereoCenter Count | 5 | | Undefined Atom StereoCenter Count | 0 | | Defined Bond StereoCenter Count | 0 | | Undefined Bond StereoCenter Count | 0 | | Covalently-Bonded Unit Count | 1 |
Descriptors Computed from Structure:
IUPAC Name: N-[(2S,3R,4R,5R,6R)-2,4, 5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
Canonical SMILES: CC(=O)NC1C(C(C(OC1O)CO)O)O
Isomeric SMILES: CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1O)CO)O)O
InChI: InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,
2H2,1H3,(H,9,11)/t4-,5-,6+,7-,8+/m1/s1
InChIKey: OVRNDRQMDRJTHS-CBQIKETKSA-N
Compound Information:
 Substance Information:
Substances:
All: 52 Links Same structure: 51 Links Mixture: 1 LinkCategory: [for same structure substances]
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| Compound ID | 84265 |
| | Molecular Weight | 221.2078 [g/mol] |
| | Molecular Formula | C8H15NO6 |
| | XLogP3 | -1.7 |
| | H-Bond Donor | 5 |
| | H-Bond Acceptor | 6 |
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Literature
