2-hydroxypropane-1,3-disulfonic acid

C3H8O7S2 — CID 19907583

IUPAC2-hydroxypropane-1,3-disulfonic acid
SMILESO=S(=O)(O)CC(O)CS(=O)(=O)O
InChIInChI=1S/C3H8O7S2/c4-3(1-11(5,6)7)2-12(8,9)10/h3-4H,1-2H2,(H,5,6,7)(H,8,9,10)
InChIKeyIPZNMGRUBGFDDE-UHFFFAOYSA-N
MW220.22 g/mol
LogP-1.88
Rot. Bonds4

About 2-hydroxypropane-1,3-disulfonic acid

2-hydroxypropane-1,3-disulfonic acid (PubChem CID 19907583) has the molecular formula C3H8O7S2 and a molecular weight of 220.22 g/mol. Its IUPAC name is 2-hydroxypropane-1,3-disulfonic acid.

Molecular Properties

Compound Name2-hydroxypropane-1,3-disulfonic acid
PubChem CID19907583
Molecular FormulaC3H8O7S2
Molecular Weight220.22 g/mol
Exact Mass219.97
IUPAC Name2-hydroxypropane-1,3-disulfonic acid
SMILESO=S(=O)(O)CC(O)CS(=O)(=O)O
InChIInChI=1S/C3H8O7S2/c4-3(1-11(5,6)7)2-12(8,9)10/h3-4H,1-2H2,(H,5,6,7)(H,8,9,10)
InChIKeyIPZNMGRUBGFDDE-UHFFFAOYSA-N
XLogP-1.88
TPSA128.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.22
LogP ≤ 5-1.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-hydroxypropane-1,3-disulfonic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-hydroxypropane-1,3-disulfonic acid?
The IUPAC name of 2-hydroxypropane-1,3-disulfonic acid (CID 19907583) is 2-hydroxypropane-1,3-disulfonic acid.
What is the SMILES notation for 2-hydroxypropane-1,3-disulfonic acid?
The canonical SMILES for 2-hydroxypropane-1,3-disulfonic acid is O=S(=O)(O)CC(O)CS(=O)(=O)O.
What is the InChIKey of 2-hydroxypropane-1,3-disulfonic acid?
The InChIKey is IPZNMGRUBGFDDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8O7S2/c4-3(1-11(5,6)7)2-12(8,9)10/h3-4H,1-2H2,(H,5,6,7)(H,8,9,10).
What are the key properties of 2-hydroxypropane-1,3-disulfonic acid?
2-hydroxypropane-1,3-disulfonic acid has a molecular weight of 220.22 g/mol, XLogP of -1.88, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxypropane-1,3-disulfonic acid is sourced from PubChem (CID 19907583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).