dihydroxy(oxo)phosphanium;prop-2-ene-1-sulfonic acid

C3H8O6PS+ — CID 87348389

IUPACdihydroxy(oxo)phosphanium;prop-2-ene-1-sulfonic acid
SMILESC=CCS(=O)(=O)O.O=[P+](O)O
InChIInChI=1S/C3H6O3S.HO3P/c1-2-3-7(4,5)6;1-4(2)3/h2H,1,3H2,(H,4,5,6);(H-,1,2,3)/p+1
InChIKeyMDCVATVLCQWRTF-UHFFFAOYSA-O
MW203.13 g/mol
LogP-0.31
Rot. Bonds2

About dihydroxy(oxo)phosphanium;prop-2-ene-1-sulfonic acid

dihydroxy(oxo)phosphanium;prop-2-ene-1-sulfonic acid (PubChem CID 87348389) has the molecular formula C3H8O6PS+ and a molecular weight of 203.13 g/mol. Its IUPAC name is dihydroxy(oxo)phosphanium;prop-2-ene-1-sulfonic acid.

Molecular Properties

Compound Namedihydroxy(oxo)phosphanium;prop-2-ene-1-sulfonic acid
PubChem CID87348389
Molecular FormulaC3H8O6PS+
Molecular Weight203.13 g/mol
Exact Mass202.98
IUPAC Namedihydroxy(oxo)phosphanium;prop-2-ene-1-sulfonic acid
SMILESC=CCS(=O)(=O)O.O=[P+](O)O
InChIInChI=1S/C3H6O3S.HO3P/c1-2-3-7(4,5)6;1-4(2)3/h2H,1,3H2,(H,4,5,6);(H-,1,2,3)/p+1
InChIKeyMDCVATVLCQWRTF-UHFFFAOYSA-O
XLogP-0.31
TPSA111.90 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.13
LogP ≤ 5-0.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze dihydroxy(oxo)phosphanium;prop-2-ene-1-sulfonic acid 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

phosphane;prop-2-ene-1-sulfonic acid
CID 87475193
nickel;prop-2-ene-1-sulfonic acid
CID 87111330
ethenol;prop-2-ene-1-sulfonic acid
CID 174528992
cesium;hydride;prop-2-ene-1-sulfonic acid
CID 173073935
trisodium;hydride;pentakis(prop-2-ene-1-sulfonic acid)
CID 173239451
sodium;prop-1-ene;prop-2-ene-1-sulfonic acid
CID 88807724
ethenesulfonic acid;prop-2-ene-1-sulfonic acid
CID 87136700
prop-2-ene-1-sulfonic acid;prop-2-ene-1-thiol
CID 155045725
sodium;prop-2-ene-1-sulfonic acid;trifluoromethane
CID 174596418
ethenyl methanesulfonate;prop-2-ene-1-sulfonic acid
CID 175807868
bis(dihydroxy(oxo)phosphanium);sulfuric acid
CID 173056581
prop-2-ene-1-sulfonic acid;trimethyl(octyl)azanium
CID 88536950

Frequently Asked Questions

What is the IUPAC name of dihydroxy(oxo)phosphanium;prop-2-ene-1-sulfonic acid?
The IUPAC name of dihydroxy(oxo)phosphanium;prop-2-ene-1-sulfonic acid (CID 87348389) is dihydroxy(oxo)phosphanium;prop-2-ene-1-sulfonic acid.
What is the SMILES notation for dihydroxy(oxo)phosphanium;prop-2-ene-1-sulfonic acid?
The canonical SMILES for dihydroxy(oxo)phosphanium;prop-2-ene-1-sulfonic acid is C=CCS(=O)(=O)O.O=[P+](O)O.
What is the InChIKey of dihydroxy(oxo)phosphanium;prop-2-ene-1-sulfonic acid?
The InChIKey is MDCVATVLCQWRTF-UHFFFAOYSA-O. The full InChI is InChI=1S/C3H6O3S.HO3P/c1-2-3-7(4,5)6;1-4(2)3/h2H,1,3H2,(H,4,5,6);(H-,1,2,3)/p+1.
What are the key properties of dihydroxy(oxo)phosphanium;prop-2-ene-1-sulfonic acid?
dihydroxy(oxo)phosphanium;prop-2-ene-1-sulfonic acid has a molecular weight of 203.13 g/mol, XLogP of -0.31, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dihydroxy(oxo)phosphanium;prop-2-ene-1-sulfonic acid is sourced from PubChem (CID 87348389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).