[(2R)-3-chloro-2-hydroxypropyl]phosphonic acid

C3H8ClO4P — CID 15867543

IUPAC[(2R)-3-chloro-2-hydroxypropyl]phosphonic acid
SMILESO=P(O)(O)C[C@@H](O)CCl
InChIInChI=1S/C3H8ClO4P/c4-1-3(5)2-9(6,7)8/h3,5H,1-2H2,(H2,6,7,8)/t3-/m0/s1
InChIKeyMTHUXSANBRAURH-VKHMYHEASA-N
MW174.52 g/mol
LogP-0.24
Rot. Bonds3

About [(2R)-3-chloro-2-hydroxypropyl]phosphonic acid

[(2R)-3-chloro-2-hydroxypropyl]phosphonic acid (PubChem CID 15867543) has the molecular formula C3H8ClO4P and a molecular weight of 174.52 g/mol. Its IUPAC name is [(2R)-3-chloro-2-hydroxypropyl]phosphonic acid.

Molecular Properties

Compound Name[(2R)-3-chloro-2-hydroxypropyl]phosphonic acid
PubChem CID15867543
Molecular FormulaC3H8ClO4P
Molecular Weight174.52 g/mol
Exact Mass173.98
IUPAC Name[(2R)-3-chloro-2-hydroxypropyl]phosphonic acid
SMILESO=P(O)(O)C[C@@H](O)CCl
InChIInChI=1S/C3H8ClO4P/c4-1-3(5)2-9(6,7)8/h3,5H,1-2H2,(H2,6,7,8)/t3-/m0/s1
InChIKeyMTHUXSANBRAURH-VKHMYHEASA-N
XLogP-0.24
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.52
LogP ≤ 5-0.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2R)-3-chloro-2-hydroxypropyl]phosphonic acid?
The IUPAC name of [(2R)-3-chloro-2-hydroxypropyl]phosphonic acid (CID 15867543) is [(2R)-3-chloro-2-hydroxypropyl]phosphonic acid.
What is the SMILES notation for [(2R)-3-chloro-2-hydroxypropyl]phosphonic acid?
The canonical SMILES for [(2R)-3-chloro-2-hydroxypropyl]phosphonic acid is O=P(O)(O)C[C@@H](O)CCl.
What is the InChIKey of [(2R)-3-chloro-2-hydroxypropyl]phosphonic acid?
The InChIKey is MTHUXSANBRAURH-VKHMYHEASA-N. The full InChI is InChI=1S/C3H8ClO4P/c4-1-3(5)2-9(6,7)8/h3,5H,1-2H2,(H2,6,7,8)/t3-/m0/s1.
What are the key properties of [(2R)-3-chloro-2-hydroxypropyl]phosphonic acid?
[(2R)-3-chloro-2-hydroxypropyl]phosphonic acid has a molecular weight of 174.52 g/mol, XLogP of -0.24, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-3-chloro-2-hydroxypropyl]phosphonic acid is sourced from PubChem (CID 15867543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).