CID 88540915

C3H5O8PS — CID 88540915

IUPAC—
SMILESCC(OP(=O)=O)(C(=O)O)S(=O)(=O)O
InChIInChI=1S/C3H5O8PS/c1-3(2(4)5,11-12(6)7)13(8,9)10/h1H3,(H,4,5)(H,8,9,10)
InChIKeyYQBMDYYYKUWRMA-UHFFFAOYSA-N
MW232.11 g/mol
LogP-0.22
Rot. Bonds4

About CID 88540915

CID 88540915 (PubChem CID 88540915) has the molecular formula C3H5O8PS and a molecular weight of 232.11 g/mol.

Molecular Properties

Compound NameCID 88540915
PubChem CID88540915
Molecular FormulaC3H5O8PS
Molecular Weight232.11 g/mol
Exact Mass231.94
IUPAC Name—
SMILESCC(OP(=O)=O)(C(=O)O)S(=O)(=O)O
InChIInChI=1S/C3H5O8PS/c1-3(2(4)5,11-12(6)7)13(8,9)10/h1H3,(H,4,5)(H,8,9,10)
InChIKeyYQBMDYYYKUWRMA-UHFFFAOYSA-N
XLogP-0.22
TPSA135.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.11
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-dodecoxy-2-sulfopropanoic acid
CID 174750625
Phosphonic acid, mono(1,1-dimethylethyl) ester
CID 11321076
2-fluoro-2-fluorosulfonylpropanoic acid
CID 139448801
3-amino-2-methyl-2-sulfopropanoic acid
CID 20561416
2-methylpropane-2-sulfonic acid;hydrofluoride
CID 87671931
2-(2-carboxypropan-2-yloxysulfonyloxy)-2-methylpropanoic acid
CID 154088250
methyl hydrogen sulfate;oxalic acid
CID 88784416
3-methyl-2-propan-2-yl-2-sulfobutanedioic acid
CID 87458697
azane;2-(dimethylamino)-2-sulfopropanoic acid;methane
CID 174763177
2,2-dimethylpropanoic acid
CID 87781698
methyl hydrogen sulfate;2,2,2-trifluoroacetic acid
CID 172730808
2-methyl-2-propan-2-ylsulfonylpropanoic acid
CID 59704002

Frequently Asked Questions

What is the IUPAC name of CID 88540915?
The IUPAC name of CID 88540915 (CID 88540915) is not available.
What is the SMILES notation for CID 88540915?
The canonical SMILES for CID 88540915 is CC(OP(=O)=O)(C(=O)O)S(=O)(=O)O.
What is the InChIKey of CID 88540915?
The InChIKey is YQBMDYYYKUWRMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5O8PS/c1-3(2(4)5,11-12(6)7)13(8,9)10/h1H3,(H,4,5)(H,8,9,10).
What are the key properties of CID 88540915?
CID 88540915 has a molecular weight of 232.11 g/mol, XLogP of -0.22, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 88540915 is sourced from PubChem (CID 88540915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).