(2-phosphonooxiran-2-yl)phosphonic acid

C2H6O7P2 — CID 11769597

IUPAC(2-phosphonooxiran-2-yl)phosphonic acid
SMILESO=P(O)(O)C1(P(=O)(O)O)CO1
InChIInChI=1S/C2H6O7P2/c3-10(4,5)2(1-9-2)11(6,7)8/h1H2,(H2,3,4,5)(H2,6,7,8)
InChIKeyRITYASKVXKIOEM-UHFFFAOYSA-N
MW204.01 g/mol
LogP-0.97
Rot. Bonds2

About (2-phosphonooxiran-2-yl)phosphonic acid

(2-phosphonooxiran-2-yl)phosphonic acid (PubChem CID 11769597) has the molecular formula C2H6O7P2 and a molecular weight of 204.01 g/mol. Its IUPAC name is (2-phosphonooxiran-2-yl)phosphonic acid.

Molecular Properties

Compound Name(2-phosphonooxiran-2-yl)phosphonic acid
PubChem CID11769597
Molecular FormulaC2H6O7P2
Molecular Weight204.01 g/mol
Exact Mass203.96
IUPAC Name(2-phosphonooxiran-2-yl)phosphonic acid
SMILESO=P(O)(O)C1(P(=O)(O)O)CO1
InChIInChI=1S/C2H6O7P2/c3-10(4,5)2(1-9-2)11(6,7)8/h1H2,(H2,3,4,5)(H2,6,7,8)
InChIKeyRITYASKVXKIOEM-UHFFFAOYSA-N
XLogP-0.97
TPSA127.59 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.01
LogP ≤ 5-0.97
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 (2-phosphonooxiran-2-yl)phosphonic acid?
The IUPAC name of (2-phosphonooxiran-2-yl)phosphonic acid (CID 11769597) is (2-phosphonooxiran-2-yl)phosphonic acid.
What is the SMILES notation for (2-phosphonooxiran-2-yl)phosphonic acid?
The canonical SMILES for (2-phosphonooxiran-2-yl)phosphonic acid is O=P(O)(O)C1(P(=O)(O)O)CO1.
What is the InChIKey of (2-phosphonooxiran-2-yl)phosphonic acid?
The InChIKey is RITYASKVXKIOEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6O7P2/c3-10(4,5)2(1-9-2)11(6,7)8/h1H2,(H2,3,4,5)(H2,6,7,8).
What are the key properties of (2-phosphonooxiran-2-yl)phosphonic acid?
(2-phosphonooxiran-2-yl)phosphonic acid has a molecular weight of 204.01 g/mol, XLogP of -0.97, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phosphonooxiran-2-yl)phosphonic acid is sourced from PubChem (CID 11769597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).