3-[[(2R)-oxiran-2-yl]methoxy]propylphosphonic acid

C6H13O5P — CID 142692953

IUPAC3-[[(2R)-oxiran-2-yl]methoxy]propylphosphonic acid
SMILESO=P(O)(O)CCCOC[C@H]1CO1
InChIInChI=1S/C6H13O5P/c7-12(8,9)3-1-2-10-4-6-5-11-6/h6H,1-5H2,(H2,7,8,9)/t6-/m0/s1
InChIKeyPSHNPFJHDJOMGP-LURJTMIESA-N
MW196.14 g/mol
LogP-0.03
Rot. Bonds6

About 3-[[(2R)-oxiran-2-yl]methoxy]propylphosphonic acid

3-[[(2R)-oxiran-2-yl]methoxy]propylphosphonic acid (PubChem CID 142692953) has the molecular formula C6H13O5P and a molecular weight of 196.14 g/mol. Its IUPAC name is 3-[[(2R)-oxiran-2-yl]methoxy]propylphosphonic acid.

Molecular Properties

Compound Name3-[[(2R)-oxiran-2-yl]methoxy]propylphosphonic acid
PubChem CID142692953
Molecular FormulaC6H13O5P
Molecular Weight196.14 g/mol
Exact Mass196.05
IUPAC Name3-[[(2R)-oxiran-2-yl]methoxy]propylphosphonic acid
SMILESO=P(O)(O)CCCOC[C@H]1CO1
InChIInChI=1S/C6H13O5P/c7-12(8,9)3-1-2-10-4-6-5-11-6/h6H,1-5H2,(H2,7,8,9)/t6-/m0/s1
InChIKeyPSHNPFJHDJOMGP-LURJTMIESA-N
XLogP-0.03
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.14
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[4-[4-[4-[4-[4-[4-[4-[4-(oxiran-2-ylmethoxy)butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxymethyl]oxirane
CID 130476685
2-[18-(oxiran-2-ylmethoxy)octadecoxymethyl]oxirane
CID 172718038
2-[4-[4-[4-(oxiran-2-ylmethoxy)butoxy]butoxy]butoxymethyl]oxirane
CID 130476668
2-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(oxiran-2-ylmethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxymethyl]oxirane
CID 91036446
2-[12-(oxiran-2-yl)dodecoxymethyl]oxirane
CID 141065543
10-(oxiran-2-ylmethoxy)decan-1-ol
CID 141116749
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(oxiran-2-ylmethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]oxirane
CID 58765936
(2R)-2-(3-methoxypropoxymethyl)oxirane
CID 130493223
2-(4-methoxybutoxymethyl)oxirane
CID 58151519
3-[[2-methyl-4-(nonoxymethyl)-1,3-dioxolan-2-yl]methoxy]propylphosphonic acid
CID 139440420
4-(oxiran-2-ylmethoxy)butanal
CID 130035939
2-(pentoxymethyl)oxirane
CID 160890113

Frequently Asked Questions

What is the IUPAC name of 3-[[(2R)-oxiran-2-yl]methoxy]propylphosphonic acid?
The IUPAC name of 3-[[(2R)-oxiran-2-yl]methoxy]propylphosphonic acid (CID 142692953) is 3-[[(2R)-oxiran-2-yl]methoxy]propylphosphonic acid.
What is the SMILES notation for 3-[[(2R)-oxiran-2-yl]methoxy]propylphosphonic acid?
The canonical SMILES for 3-[[(2R)-oxiran-2-yl]methoxy]propylphosphonic acid is O=P(O)(O)CCCOC[C@H]1CO1.
What is the InChIKey of 3-[[(2R)-oxiran-2-yl]methoxy]propylphosphonic acid?
The InChIKey is PSHNPFJHDJOMGP-LURJTMIESA-N. The full InChI is InChI=1S/C6H13O5P/c7-12(8,9)3-1-2-10-4-6-5-11-6/h6H,1-5H2,(H2,7,8,9)/t6-/m0/s1.
What are the key properties of 3-[[(2R)-oxiran-2-yl]methoxy]propylphosphonic acid?
3-[[(2R)-oxiran-2-yl]methoxy]propylphosphonic acid has a molecular weight of 196.14 g/mol, XLogP of -0.03, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2R)-oxiran-2-yl]methoxy]propylphosphonic acid is sourced from PubChem (CID 142692953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).