N-Acetyl-beta-D-glucosaminylamine - Compound Summary (CID 439454)
  Table of Contents
 Properties Computed from Structure:
| Molecular Weight | 220.22304 [g/mol] | | Molecular Formula | C8H16N2O5 | | XLogP3 | -2 | | H-Bond Donor | 5 | | H-Bond Acceptor | 6 | | Rotatable Bond Count | 2 | | Tautomer Count | 2 | | Exact Mass | 220.105922 | | MonoIsotopic Mass | 220.105922 | | Topological Polar Surface Area | 125 | | Heavy Atom Count | 15 | | Formal Charge | 0 | | Complexity | 237 | | 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-[(2R,3R,4R,5S,6R)-2-amino-4, 5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
Canonical SMILES: CC(=O)NC1C(C(C(OC1N)CO)O)O
Isomeric SMILES: CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1N)CO)O)O
InChI: InChI=1S/C8H16N2O5/c1-3(12)10-5-7(14)6(13)4(2-11)15-8(5)9/h4-8,11,
13-14H,2,9H2,1H3,(H,10,12)/t4-,5-,6-,7-,8-/m1/s1
InChIKey: MCGXOCXFFNKASF-FMDGEEDCSA-N
Compound Information:
 Substance Information:
Substances: 1493 Links
Category: [for same structure substances]
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| Compound ID | 439454 |
| | Molecular Weight | 220.22304 [g/mol] |
| | Molecular Formula | C8H16N2O5 |
| | XLogP3 | -2 |
| | H-Bond Donor | 5 |
| | H-Bond Acceptor | 6 |
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