beta-glucono-1,5-lactone - Compound Summary (CID 7027)
structure
  Table of Contents
 Drug and Chemical Information: (Total:1)
 Properties Computed from Structure:
| Molecular Weight | 178.14 [g/mol] | | Molecular Formula | C6H10O6 | | XLogP3-AA | -2 | | H-Bond Donor | 4 | | H-Bond Acceptor | 6 | | Rotatable Bond Count | 1 | | Exact Mass | 178.047738 | | MonoIsotopic Mass | 178.047738 | | Topological Polar Surface Area | 107 | | Heavy Atom Count | 12 | | Formal Charge | 0 | | Complexity | 181 | | 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: (3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-one
Canonical SMILES: C(C1C(C(C(C(=O)O1)O)O)O)O
Isomeric SMILES: C([C@@H]1[C@H]([C@@H]([C@H](C(=O)O1)O)O)O)O
InChI: InChI=1S/C6H10O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-5,7-10H,1H2/t2-,3-,4+,
5-/m1/s1
InChIKey: PHOQVHQSTUBQQK-SQOUGZDYSA-N
Compound Information:
 Substance Information:
Substances:
All: 33 Links Same structure: 26 Links Mixture: 7 LinksCategory: [for same structure substances]
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| Compound ID | 7027 |
| | Molecular Weight | 178.14 [g/mol] |
| | Molecular Formula | C6H10O6 |
| | XLogP3-AA | -2 |
| | H-Bond Donor | 4 |
| | H-Bond Acceptor | 6 |
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Literature
