(5S)-5,6-dihydroxyhexanoic acid

C6H12O4 — CID 88918822

IUPAC(5S)-5,6-dihydroxyhexanoic acid
SMILESO=C(O)CCC[C@H](O)CO
InChIInChI=1S/C6H12O4/c7-4-5(8)2-1-3-6(9)10/h5,7-8H,1-4H2,(H,9,10)/t5-/m0/s1
InChIKeyNRKKZRXIFVGKRZ-YFKPBYRVSA-N
MW148.16 g/mol
LogP-0.41
Rot. Bonds5

About (5S)-5,6-dihydroxyhexanoic acid

(5S)-5,6-dihydroxyhexanoic acid (PubChem CID 88918822) has the molecular formula C6H12O4 and a molecular weight of 148.16 g/mol. Its IUPAC name is (5S)-5,6-dihydroxyhexanoic acid.

Molecular Properties

Compound Name(5S)-5,6-dihydroxyhexanoic acid
PubChem CID88918822
Molecular FormulaC6H12O4
Molecular Weight148.16 g/mol
Exact Mass148.07
IUPAC Name(5S)-5,6-dihydroxyhexanoic acid
SMILESO=C(O)CCC[C@H](O)CO
InChIInChI=1S/C6H12O4/c7-4-5(8)2-1-3-6(9)10/h5,7-8H,1-4H2,(H,9,10)/t5-/m0/s1
InChIKeyNRKKZRXIFVGKRZ-YFKPBYRVSA-N
XLogP-0.41
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.16
LogP ≤ 5-0.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5,6-dihydroxyhexanoic acid
CID 15140307
18,19-dihydroxynonadecanoic acid
CID 87167042
hexanedioic acid;hexane-1,1,5,6-tetrol
CID 19990329
decanedioic acid;hexakis(propane-1,2,3-triol)
CID 157296752
decane-1,2-diol;decanoic acid
CID 174865520
(3S)-3-hydroxyheptanedioic acid
CID 87737490
5-hydroxytridecanedioic acid
CID 139805426
6-chloro-5-hydroxyhexanoic acid
CID 139906420
(5R)-5-hydroxyheptanoic acid
CID 14029725
20,21-dihydroxyhenicosa-9,12-dienoic acid
CID 158956400
4-aminobutanoic acid;propane-1,2,3-triol
CID 175213071
5,5-dihydroxypentanoic acid
CID 57194054

Frequently Asked Questions

What is the IUPAC name of (5S)-5,6-dihydroxyhexanoic acid?
The IUPAC name of (5S)-5,6-dihydroxyhexanoic acid (CID 88918822) is (5S)-5,6-dihydroxyhexanoic acid.
What is the SMILES notation for (5S)-5,6-dihydroxyhexanoic acid?
The canonical SMILES for (5S)-5,6-dihydroxyhexanoic acid is O=C(O)CCC[C@H](O)CO.
What is the InChIKey of (5S)-5,6-dihydroxyhexanoic acid?
The InChIKey is NRKKZRXIFVGKRZ-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H12O4/c7-4-5(8)2-1-3-6(9)10/h5,7-8H,1-4H2,(H,9,10)/t5-/m0/s1.
What are the key properties of (5S)-5,6-dihydroxyhexanoic acid?
(5S)-5,6-dihydroxyhexanoic acid has a molecular weight of 148.16 g/mol, XLogP of -0.41, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5,6-dihydroxyhexanoic acid is sourced from PubChem (CID 88918822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).