4-amino-4,6-dideoxy-D-mannose - Compound Summary (CID 161706)
structure given in first source; RN refers to (D)-isomer
  Table of Contents
 Drug and Chemical Information: (Total:1)
 Properties Computed from Structure:
| Molecular Weight | 163.17172 [g/mol] | | Molecular Formula | C6H13NO4 | | XLogP3-AA | -2.6 | | H-Bond Donor | 4 | | H-Bond Acceptor | 5 | | Rotatable Bond Count | 4 | | Tautomer Count | 10 | | Exact Mass | 163.084458 | | MonoIsotopic Mass | 163.084458 | | Topological Polar Surface Area | 104 | | Heavy Atom Count | 11 | | Formal Charge | 0 | | Complexity | 130 | | Isotope Atom Count | 0 | | Defined Atom StereoCenter Count | 4 | | 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: (2S,3S,4R,5R)-4-amino-2,3,5-trihydroxyhexanal
Canonical SMILES: CC(C(C(C(C=O)O)O)N)O
Isomeric SMILES: C[C@H]([C@H]([C@@H]([C@@H](C=O)O)O)N)O
InChI: InChI=1S/C6H13NO4/c1-3(9)5(7)6(11)4(10)2-8/h2-6,9-11H,7H2,1H3/t3-,4-,5-,
6-/m1/s1
InChIKey: UEHGPSGGFKLPTD-KVTDHHQDSA-N
Compound Information:
 Substance Information:
Substances: 5 Links
Category: [for same structure substances]
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| Compound ID | 161706 |
| | Molecular Weight | 163.17172 [g/mol] |
| | Molecular Formula | C6H13NO4 |
| | XLogP3-AA | -2.6 |
| | H-Bond Donor | 4 |
| | H-Bond Acceptor | 5 |
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Literature
