[(1R)-1-hydroxypropyl]phosphonic acid

C3H9O4P — CID 52950093

IUPAC[(1R)-1-hydroxypropyl]phosphonic acid
SMILESCC[C@H](O)P(=O)(O)O
InChIInChI=1S/C3H9O4P/c1-2-3(4)8(5,6)7/h3-4H,2H2,1H3,(H2,5,6,7)/t3-/m1/s1
InChIKeyMVIJUJBSAAUHEM-GSVOUGTGSA-N
MW140.07 g/mol
LogP-0.11
Rot. Bonds2

About [(1R)-1-hydroxypropyl]phosphonic acid

[(1R)-1-hydroxypropyl]phosphonic acid (PubChem CID 52950093) has the molecular formula C3H9O4P and a molecular weight of 140.07 g/mol. Its IUPAC name is [(1R)-1-hydroxypropyl]phosphonic acid.

Molecular Properties

Compound Name[(1R)-1-hydroxypropyl]phosphonic acid
PubChem CID52950093
Molecular FormulaC3H9O4P
Molecular Weight140.07 g/mol
Exact Mass140.02
IUPAC Name[(1R)-1-hydroxypropyl]phosphonic acid
SMILESCC[C@H](O)P(=O)(O)O
InChIInChI=1S/C3H9O4P/c1-2-3(4)8(5,6)7/h3-4H,2H2,1H3,(H2,5,6,7)/t3-/m1/s1
InChIKeyMVIJUJBSAAUHEM-GSVOUGTGSA-N
XLogP-0.11
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.07
LogP ≤ 5-0.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(1R)-1-hydroxypropyl]phosphonic acid?
The IUPAC name of [(1R)-1-hydroxypropyl]phosphonic acid (CID 52950093) is [(1R)-1-hydroxypropyl]phosphonic acid.
What is the SMILES notation for [(1R)-1-hydroxypropyl]phosphonic acid?
The canonical SMILES for [(1R)-1-hydroxypropyl]phosphonic acid is CC[C@H](O)P(=O)(O)O.
What is the InChIKey of [(1R)-1-hydroxypropyl]phosphonic acid?
The InChIKey is MVIJUJBSAAUHEM-GSVOUGTGSA-N. The full InChI is InChI=1S/C3H9O4P/c1-2-3(4)8(5,6)7/h3-4H,2H2,1H3,(H2,5,6,7)/t3-/m1/s1.
What are the key properties of [(1R)-1-hydroxypropyl]phosphonic acid?
[(1R)-1-hydroxypropyl]phosphonic acid has a molecular weight of 140.07 g/mol, XLogP of -0.11, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-hydroxypropyl]phosphonic acid is sourced from PubChem (CID 52950093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).