oxirane;phosphoric acid

C2H7O5P — CID 87772317

IUPACoxirane;phosphoric acid
SMILESC1CO1.O=P(O)(O)O
InChIInChI=1S/C2H4O.H3O4P/c1-2-3-1;1-5(2,3)4/h1-2H2;(H3,1,2,3,4)
InChIKeyWUFSRLQSIDFFMT-UHFFFAOYSA-N
MW142.05 g/mol
LogP-0.91
Rot. Bonds

About oxirane;phosphoric acid

oxirane;phosphoric acid (PubChem CID 87772317) has the molecular formula C2H7O5P and a molecular weight of 142.05 g/mol. Its IUPAC name is oxirane;phosphoric acid.

Molecular Properties

Compound Nameoxirane;phosphoric acid
PubChem CID87772317
Molecular FormulaC2H7O5P
Molecular Weight142.05 g/mol
Exact Mass142.00
IUPAC Nameoxirane;phosphoric acid
SMILESC1CO1.O=P(O)(O)O
InChIInChI=1S/C2H4O.H3O4P/c1-2-3-1;1-5(2,3)4/h1-2H2;(H3,1,2,3,4)
InChIKeyWUFSRLQSIDFFMT-UHFFFAOYSA-N
XLogP-0.91
TPSA90.29 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.05
LogP ≤ 5-0.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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 oxirane;phosphoric acid?
The IUPAC name of oxirane;phosphoric acid (CID 87772317) is oxirane;phosphoric acid.
What is the SMILES notation for oxirane;phosphoric acid?
The canonical SMILES for oxirane;phosphoric acid is C1CO1.O=P(O)(O)O.
What is the InChIKey of oxirane;phosphoric acid?
The InChIKey is WUFSRLQSIDFFMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4O.H3O4P/c1-2-3-1;1-5(2,3)4/h1-2H2;(H3,1,2,3,4).
What are the key properties of oxirane;phosphoric acid?
oxirane;phosphoric acid has a molecular weight of 142.05 g/mol, XLogP of -0.91, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for oxirane;phosphoric acid is sourced from PubChem (CID 87772317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).