sodium;1,3-dihydroxypropane-1,3-disulfonic acid;hydride

C3H9NaO8S2 — CID 173490221

IUPACsodium;1,3-dihydroxypropane-1,3-disulfonic acid;hydride
SMILESO=S(=O)(O)C(O)CC(O)S(=O)(=O)O.[H-].[Na+]
InChIInChI=1S/C3H8O8S2.Na.H/c4-2(12(6,7)8)1-3(5)13(9,10)11;;/h2-5H,1H2,(H,6,7,8)(H,9,10,11);;/q;+1;-1
InChIKeyKBDDGRJUDGZRDN-UHFFFAOYSA-N
MW260.22 g/mol
LogP-5.09
Rot. Bonds4

About sodium;1,3-dihydroxypropane-1,3-disulfonic acid;hydride

sodium;1,3-dihydroxypropane-1,3-disulfonic acid;hydride (PubChem CID 173490221) has the molecular formula C3H9NaO8S2 and a molecular weight of 260.22 g/mol. Its IUPAC name is sodium;1,3-dihydroxypropane-1,3-disulfonic acid;hydride.

Molecular Properties

Compound Namesodium;1,3-dihydroxypropane-1,3-disulfonic acid;hydride
PubChem CID173490221
Molecular FormulaC3H9NaO8S2
Molecular Weight260.22 g/mol
Exact Mass259.96
IUPAC Namesodium;1,3-dihydroxypropane-1,3-disulfonic acid;hydride
SMILESO=S(=O)(O)C(O)CC(O)S(=O)(=O)O.[H-].[Na+]
InChIInChI=1S/C3H8O8S2.Na.H/c4-2(12(6,7)8)1-3(5)13(9,10)11;;/h2-5H,1H2,(H,6,7,8)(H,9,10,11);;/q;+1;-1
InChIKeyKBDDGRJUDGZRDN-UHFFFAOYSA-N
XLogP-5.09
TPSA149.20 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.22
LogP ≤ 5-5.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze sodium;1,3-dihydroxypropane-1,3-disulfonic acid;hydride with MolForge

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

Launch Full Analysis

Related Compounds

sodium;2-amino-1-hydroxyethanesulfonic acid;hydride
CID 175556811
1,3-dihydroxybutane-1,4-disulfonic acid
CID 90795169
sodium;ethoxyethane;hydride;1-hydroxypropane-1-sulfonic acid
CID 174952019
CID 162308641
CID 162308641
2-(dihydroxyamino)-1-hydroxyethanesulfonic acid
CID 138503474
sodium;hydride;1-hydroxyethanesulfonic acid;hydrochloride
CID 173117052
(1S,3R)-1-hydroxy-3-phenylpropane-1,3-disulfonic acid
CID 129359835
3-amino-1-hydroxy-3-oxopropane-1-sulfonic acid
CID 103574313
calcium;ethoxyethane;hydride;1-hydroxypropane-1-sulfonic acid
CID 174816191
sodium 1-hydroxydecane-1-sulfonic acid
CID 23131177
CID 131865305
CID 131865305
disodium;hydride;sulfuric acid
CID 173031766

Frequently Asked Questions

What is the IUPAC name of sodium;1,3-dihydroxypropane-1,3-disulfonic acid;hydride?
The IUPAC name of sodium;1,3-dihydroxypropane-1,3-disulfonic acid;hydride (CID 173490221) is sodium;1,3-dihydroxypropane-1,3-disulfonic acid;hydride.
What is the SMILES notation for sodium;1,3-dihydroxypropane-1,3-disulfonic acid;hydride?
The canonical SMILES for sodium;1,3-dihydroxypropane-1,3-disulfonic acid;hydride is O=S(=O)(O)C(O)CC(O)S(=O)(=O)O.[H-].[Na+].
What is the InChIKey of sodium;1,3-dihydroxypropane-1,3-disulfonic acid;hydride?
The InChIKey is KBDDGRJUDGZRDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8O8S2.Na.H/c4-2(12(6,7)8)1-3(5)13(9,10)11;;/h2-5H,1H2,(H,6,7,8)(H,9,10,11);;/q;+1;-1.
What are the key properties of sodium;1,3-dihydroxypropane-1,3-disulfonic acid;hydride?
sodium;1,3-dihydroxypropane-1,3-disulfonic acid;hydride has a molecular weight of 260.22 g/mol, XLogP of -5.09, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;1,3-dihydroxypropane-1,3-disulfonic acid;hydride is sourced from PubChem (CID 173490221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).