(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid

C6H12O7 — CID 10690

IUPAC(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid
SMILESO=C(O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
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-3.49
Rot. Bonds5

About (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid

(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid (PubChem CID 10690) has the molecular formula C6H12O7 and a molecular weight of 196.16 g/mol. Its IUPAC name is (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid.

Molecular Properties

Compound Name(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid
PubChem CID10690
Molecular FormulaC6H12O7
Molecular Weight196.16 g/mol
Exact Mass196.06
IUPAC Name(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid
SMILESO=C(O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
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-3.49
TPSA138.45 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500196.16
LogP ≤ 5-3.49
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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Related Compounds

delta-Gluconolactone
CID 7027
Galactaric acid
CID 3037582
Bis(D-gluconato-kappaO1,kappaO2)copper
CID 10692
Manganese gluconate
CID 22988
Gluconic acid, monopotassium salt
CID 16760467
Calcium Gluconate
CID 9290
6-Phosphogluconic Acid
CID 91493
Ferrous Gluconate
CID 23616740
Glucuronolactone
CID 92283
(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal
CID 107526
Sodium Gluconate
CID 23672301
D-(-)-Fructose
CID 5984

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid?
The IUPAC name of (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid (CID 10690) is (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid.
What is the SMILES notation for (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid?
The canonical SMILES for (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid is O=C(O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.
What is the InChIKey of (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid?
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 (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid?
(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid has a molecular weight of 196.16 g/mol, XLogP of -3.49, 5 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid is sourced from PubChem (CID 10690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).