CID 88637352

C2H5O4P — CID 88637352

IUPAC—
SMILESC1CO1.O=P(=O)O
InChIInChI=1S/C2H4O.HO3P/c1-2-3-1;1-4(2)3/h1-2H2;(H,1,2,3)
InChIKeyXYTRXNNHCXUSQE-UHFFFAOYSA-N
MW124.03 g/mol
LogP0.08
Rot. Bonds

About CID 88637352

CID 88637352 (PubChem CID 88637352) has the molecular formula C2H5O4P and a molecular weight of 124.03 g/mol.

Molecular Properties

Compound NameCID 88637352
PubChem CID88637352
Molecular FormulaC2H5O4P
Molecular Weight124.03 g/mol
Exact Mass123.99
IUPAC Name—
SMILESC1CO1.O=P(=O)O
InChIInChI=1S/C2H4O.HO3P/c1-2-3-1;1-4(2)3/h1-2H2;(H,1,2,3)
InChIKeyXYTRXNNHCXUSQE-UHFFFAOYSA-N
XLogP0.08
TPSA66.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.03
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 88637352?
The IUPAC name of CID 88637352 (CID 88637352) is not available.
What is the SMILES notation for CID 88637352?
The canonical SMILES for CID 88637352 is C1CO1.O=P(=O)O.
What is the InChIKey of CID 88637352?
The InChIKey is XYTRXNNHCXUSQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4O.HO3P/c1-2-3-1;1-4(2)3/h1-2H2;(H,1,2,3).
What are the key properties of CID 88637352?
CID 88637352 has a molecular weight of 124.03 g/mol, XLogP of 0.08, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 88637352 is sourced from PubChem (CID 88637352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).