(2-hydroxy-2-oxo-1,2λ5-oxaphospholan-4-yl)methyl carbonochloridate

C5H8ClO5P — CID 129043470

IUPAC(2-hydroxy-2-oxo-1,2λ5-oxaphospholan-4-yl)methyl carbonochloridate
SMILESO=C(Cl)OCC1COP(=O)(O)C1
InChIInChI=1S/C5H8ClO5P/c6-5(7)10-1-4-2-11-12(8,9)3-4/h4H,1-3H2,(H,8,9)
InChIKeyZAVDWORXRKPERY-UHFFFAOYSA-N
MW214.54 g/mol
LogP1.19
Rot. Bonds2

About (2-hydroxy-2-oxo-1,2λ5-oxaphospholan-4-yl)methyl carbonochloridate

(2-hydroxy-2-oxo-1,2λ5-oxaphospholan-4-yl)methyl carbonochloridate (PubChem CID 129043470) has the molecular formula C5H8ClO5P and a molecular weight of 214.54 g/mol. Its IUPAC name is (2-hydroxy-2-oxo-1,2λ5-oxaphospholan-4-yl)methyl carbonochloridate.

Molecular Properties

Compound Name(2-hydroxy-2-oxo-1,2λ5-oxaphospholan-4-yl)methyl carbonochloridate
PubChem CID129043470
Molecular FormulaC5H8ClO5P
Molecular Weight214.54 g/mol
Exact Mass213.98
IUPAC Name(2-hydroxy-2-oxo-1,2λ5-oxaphospholan-4-yl)methyl carbonochloridate
SMILESO=C(Cl)OCC1COP(=O)(O)C1
InChIInChI=1S/C5H8ClO5P/c6-5(7)10-1-4-2-11-12(8,9)3-4/h4H,1-3H2,(H,8,9)
InChIKeyZAVDWORXRKPERY-UHFFFAOYSA-N
XLogP1.19
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.54
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-2-oxo-1,2λ5-oxaphospholan-4-yl)methyl carbonochloridate?
The IUPAC name of (2-hydroxy-2-oxo-1,2λ5-oxaphospholan-4-yl)methyl carbonochloridate (CID 129043470) is (2-hydroxy-2-oxo-1,2λ5-oxaphospholan-4-yl)methyl carbonochloridate.
What is the SMILES notation for (2-hydroxy-2-oxo-1,2λ5-oxaphospholan-4-yl)methyl carbonochloridate?
The canonical SMILES for (2-hydroxy-2-oxo-1,2λ5-oxaphospholan-4-yl)methyl carbonochloridate is O=C(Cl)OCC1COP(=O)(O)C1.
What is the InChIKey of (2-hydroxy-2-oxo-1,2λ5-oxaphospholan-4-yl)methyl carbonochloridate?
The InChIKey is ZAVDWORXRKPERY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8ClO5P/c6-5(7)10-1-4-2-11-12(8,9)3-4/h4H,1-3H2,(H,8,9).
What are the key properties of (2-hydroxy-2-oxo-1,2λ5-oxaphospholan-4-yl)methyl carbonochloridate?
(2-hydroxy-2-oxo-1,2λ5-oxaphospholan-4-yl)methyl carbonochloridate has a molecular weight of 214.54 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-2-oxo-1,2λ5-oxaphospholan-4-yl)methyl carbonochloridate is sourced from PubChem (CID 129043470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).