oxiran-2-ylmethanol;phosphoric acid

C3H9O6P — CID 87891587

IUPACoxiran-2-ylmethanol;phosphoric acid
SMILESO=P(O)(O)O.OCC1CO1
InChIInChI=1S/C3H6O2.H3O4P/c4-1-3-2-5-3;1-5(2,3)4/h3-4H,1-2H2;(H3,1,2,3,4)
InChIKeyVEJJCOIDKZEHIS-UHFFFAOYSA-N
MW172.07 g/mol
LogP-1.55
Rot. Bonds1

About oxiran-2-ylmethanol;phosphoric acid

oxiran-2-ylmethanol;phosphoric acid (PubChem CID 87891587) has the molecular formula C3H9O6P and a molecular weight of 172.07 g/mol. Its IUPAC name is oxiran-2-ylmethanol;phosphoric acid.

Molecular Properties

Compound Nameoxiran-2-ylmethanol;phosphoric acid
PubChem CID87891587
Molecular FormulaC3H9O6P
Molecular Weight172.07 g/mol
Exact Mass172.01
IUPAC Nameoxiran-2-ylmethanol;phosphoric acid
SMILESO=P(O)(O)O.OCC1CO1
InChIInChI=1S/C3H6O2.H3O4P/c4-1-3-2-5-3;1-5(2,3)4/h3-4H,1-2H2;(H3,1,2,3,4)
InChIKeyVEJJCOIDKZEHIS-UHFFFAOYSA-N
XLogP-1.55
TPSA110.52 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.07
LogP ≤ 5-1.55
H-Bond Donors ≤ 54
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 oxiran-2-ylmethanol;phosphoric acid?
The IUPAC name of oxiran-2-ylmethanol;phosphoric acid (CID 87891587) is oxiran-2-ylmethanol;phosphoric acid.
What is the SMILES notation for oxiran-2-ylmethanol;phosphoric acid?
The canonical SMILES for oxiran-2-ylmethanol;phosphoric acid is O=P(O)(O)O.OCC1CO1.
What is the InChIKey of oxiran-2-ylmethanol;phosphoric acid?
The InChIKey is VEJJCOIDKZEHIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6O2.H3O4P/c4-1-3-2-5-3;1-5(2,3)4/h3-4H,1-2H2;(H3,1,2,3,4).
What are the key properties of oxiran-2-ylmethanol;phosphoric acid?
oxiran-2-ylmethanol;phosphoric acid has a molecular weight of 172.07 g/mol, XLogP of -1.55, 1 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxiran-2-ylmethanol;phosphoric acid is sourced from PubChem (CID 87891587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).