3,5-dihydroxypentane-1-sulfonic acid

C5H12O5S — CID 122552680

IUPAC3,5-dihydroxypentane-1-sulfonic acid
SMILESO=S(=O)(O)CCC(O)CCO
InChIInChI=1S/C5H12O5S/c6-3-1-5(7)2-4-11(8,9)10/h5-7H,1-4H2,(H,8,9,10)
InChIKeyWYNCRMWLPSBTIV-UHFFFAOYSA-N
MW184.21 g/mol
LogP-0.99
Rot. Bonds5

About 3,5-dihydroxypentane-1-sulfonic acid

3,5-dihydroxypentane-1-sulfonic acid (PubChem CID 122552680) has the molecular formula C5H12O5S and a molecular weight of 184.21 g/mol. Its IUPAC name is 3,5-dihydroxypentane-1-sulfonic acid.

Molecular Properties

Compound Name3,5-dihydroxypentane-1-sulfonic acid
PubChem CID122552680
Molecular FormulaC5H12O5S
Molecular Weight184.21 g/mol
Exact Mass184.04
IUPAC Name3,5-dihydroxypentane-1-sulfonic acid
SMILESO=S(=O)(O)CCC(O)CCO
InChIInChI=1S/C5H12O5S/c6-3-1-5(7)2-4-11(8,9)10/h5-7H,1-4H2,(H,8,9,10)
InChIKeyWYNCRMWLPSBTIV-UHFFFAOYSA-N
XLogP-0.99
TPSA94.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.21
LogP ≤ 5-0.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

hexasodium;pentane-1,3,5-triol;trisulfate
CID 173024311
lithium;hydride;2-hydroxyethanesulfonic acid
CID 173041120
sodium;hydride;2-hydroxyethanesulfonic acid
CID 173006152
lithium;hydride;3-methylbutane-1-sulfonic acid
CID 174653708
2-hydroxyethanesulfonic acid;silver
CID 87209091
3-amino-6-hydroxyhexane-1-sulfonic acid
CID 54526006
(2S)-2-[bis(2-hydroxyethyl)amino]propanoic acid;3,4-dihydroxybutane-1-sulfonic acid
CID 158798823
pentane-1,3,5-trisulfonic acid
CID 89390936
CID 87787087
CID 87787087
3-hydroxy-4-prop-2-enoxybutane-1-sulfonic acid
CID 102408153
calcium;ethane-1,2-disulfonic acid;hydride
CID 173073207
hexane-1,1,4,6-tetrol
CID 56633159

Frequently Asked Questions

What is the IUPAC name of 3,5-dihydroxypentane-1-sulfonic acid?
The IUPAC name of 3,5-dihydroxypentane-1-sulfonic acid (CID 122552680) is 3,5-dihydroxypentane-1-sulfonic acid.
What is the SMILES notation for 3,5-dihydroxypentane-1-sulfonic acid?
The canonical SMILES for 3,5-dihydroxypentane-1-sulfonic acid is O=S(=O)(O)CCC(O)CCO.
What is the InChIKey of 3,5-dihydroxypentane-1-sulfonic acid?
The InChIKey is WYNCRMWLPSBTIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12O5S/c6-3-1-5(7)2-4-11(8,9)10/h5-7H,1-4H2,(H,8,9,10).
What are the key properties of 3,5-dihydroxypentane-1-sulfonic acid?
3,5-dihydroxypentane-1-sulfonic acid has a molecular weight of 184.21 g/mol, XLogP of -0.99, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dihydroxypentane-1-sulfonic acid is sourced from PubChem (CID 122552680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).