hydron;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate

C6H12O7 — CID 173170768

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IUPAChydron;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate
SMILESO=C([O-])[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.[H+]
InChIInChI=1S/C6H12O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-5,7-11H,1H2,(H,12,13)/t2-,3-,4+,5-/m1/s1
InChIKeyRGHNJXZEOKUKBD-SQOUGZDYSA-N
MW196.16 g/mol
LogP-4.72
Rot. Bonds5

About hydron;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate

hydron;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate (PubChem CID 173170768) has the molecular formula C6H12O7 and a molecular weight of 196.16 g/mol. Its IUPAC name is hydron;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate.

Molecular Properties

Compound Namehydron;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate
PubChem CID173170768
Molecular FormulaC6H12O7
Molecular Weight196.16 g/mol
Exact Mass196.06
IUPAC Namehydron;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate
SMILESO=C([O-])[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.[H+]
InChIInChI=1S/C6H12O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-5,7-11H,1H2,(H,12,13)/t2-,3-,4+,5-/m1/s1
InChIKeyRGHNJXZEOKUKBD-SQOUGZDYSA-N
XLogP-4.72
TPSA141.28 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.16
LogP ≤ 5-4.72
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of hydron;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate?
The IUPAC name of hydron;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate (CID 173170768) is hydron;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate.
What is the SMILES notation for hydron;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate?
The canonical SMILES for hydron;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate is O=C([O-])[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.[H+].
What is the InChIKey of hydron;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate?
The InChIKey is RGHNJXZEOKUKBD-SQOUGZDYSA-N. The full InChI is InChI=1S/C6H12O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-5,7-11H,1H2,(H,12,13)/t2-,3-,4+,5-/m1/s1.
What are the key properties of hydron;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate?
hydron;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate has a molecular weight of 196.16 g/mol, XLogP of -4.72, 5 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for hydron;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate is sourced from PubChem (CID 173170768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).