[(1R)-1-hydroxy-2-methylpropyl]phosphonic acid

C4H11O4P — CID 130626556

IUPAC[(1R)-1-hydroxy-2-methylpropyl]phosphonic acid
SMILESCC(C)[C@H](O)P(=O)(O)O
InChIInChI=1S/C4H11O4P/c1-3(2)4(5)9(6,7)8/h3-5H,1-2H3,(H2,6,7,8)/t4-/m1/s1
InChIKeyNCSVFERDDBHVCB-SCSAIBSYSA-N
MW154.10 g/mol
LogP0.14
Rot. Bonds2

About [(1R)-1-hydroxy-2-methylpropyl]phosphonic acid

[(1R)-1-hydroxy-2-methylpropyl]phosphonic acid (PubChem CID 130626556) has the molecular formula C4H11O4P and a molecular weight of 154.10 g/mol. Its IUPAC name is [(1R)-1-hydroxy-2-methylpropyl]phosphonic acid.

Molecular Properties

Compound Name[(1R)-1-hydroxy-2-methylpropyl]phosphonic acid
PubChem CID130626556
Molecular FormulaC4H11O4P
Molecular Weight154.10 g/mol
Exact Mass154.04
IUPAC Name[(1R)-1-hydroxy-2-methylpropyl]phosphonic acid
SMILESCC(C)[C@H](O)P(=O)(O)O
InChIInChI=1S/C4H11O4P/c1-3(2)4(5)9(6,7)8/h3-5H,1-2H3,(H2,6,7,8)/t4-/m1/s1
InChIKeyNCSVFERDDBHVCB-SCSAIBSYSA-N
XLogP0.14
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.10
LogP ≤ 50.14
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-hydroxy-2-methylpropyl]phosphonic acid?
The IUPAC name of [(1R)-1-hydroxy-2-methylpropyl]phosphonic acid (CID 130626556) is [(1R)-1-hydroxy-2-methylpropyl]phosphonic acid.
What is the SMILES notation for [(1R)-1-hydroxy-2-methylpropyl]phosphonic acid?
The canonical SMILES for [(1R)-1-hydroxy-2-methylpropyl]phosphonic acid is CC(C)[C@H](O)P(=O)(O)O.
What is the InChIKey of [(1R)-1-hydroxy-2-methylpropyl]phosphonic acid?
The InChIKey is NCSVFERDDBHVCB-SCSAIBSYSA-N. The full InChI is InChI=1S/C4H11O4P/c1-3(2)4(5)9(6,7)8/h3-5H,1-2H3,(H2,6,7,8)/t4-/m1/s1.
What are the key properties of [(1R)-1-hydroxy-2-methylpropyl]phosphonic acid?
[(1R)-1-hydroxy-2-methylpropyl]phosphonic acid has a molecular weight of 154.10 g/mol, XLogP of 0.14, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-hydroxy-2-methylpropyl]phosphonic acid is sourced from PubChem (CID 130626556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).