hydroxy-[(1S)-1-hydroxy-2-(trimethylazaniumyl)ethyl]phosphinate

C5H14NO4P — CID 154573045

IUPAChydroxy-[(1S)-1-hydroxy-2-(trimethylazaniumyl)ethyl]phosphinate
SMILESC[N+](C)(C)C[C@@H](O)P(=O)([O-])O
InChIInChI=1S/C5H14NO4P/c1-6(2,3)4-5(7)11(8,9)10/h5,7H,4H2,1-3H3,(H-,8,9,10)/t5-/m0/s1
InChIKeyYJIOAKRBBHTUPD-YFKPBYRVSA-N
MW183.14 g/mol
LogP-1.44
Rot. Bonds3

About hydroxy-[(1S)-1-hydroxy-2-(trimethylazaniumyl)ethyl]phosphinate

hydroxy-[(1S)-1-hydroxy-2-(trimethylazaniumyl)ethyl]phosphinate (PubChem CID 154573045) has the molecular formula C5H14NO4P and a molecular weight of 183.14 g/mol. Its IUPAC name is hydroxy-[(1S)-1-hydroxy-2-(trimethylazaniumyl)ethyl]phosphinate.

Molecular Properties

Compound Namehydroxy-[(1S)-1-hydroxy-2-(trimethylazaniumyl)ethyl]phosphinate
PubChem CID154573045
Molecular FormulaC5H14NO4P
Molecular Weight183.14 g/mol
Exact Mass183.07
IUPAC Namehydroxy-[(1S)-1-hydroxy-2-(trimethylazaniumyl)ethyl]phosphinate
SMILESC[N+](C)(C)C[C@@H](O)P(=O)([O-])O
InChIInChI=1S/C5H14NO4P/c1-6(2,3)4-5(7)11(8,9)10/h5,7H,4H2,1-3H3,(H-,8,9,10)/t5-/m0/s1
InChIKeyYJIOAKRBBHTUPD-YFKPBYRVSA-N
XLogP-1.44
TPSA80.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.14
LogP ≤ 5-1.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of hydroxy-[(1S)-1-hydroxy-2-(trimethylazaniumyl)ethyl]phosphinate?
The IUPAC name of hydroxy-[(1S)-1-hydroxy-2-(trimethylazaniumyl)ethyl]phosphinate (CID 154573045) is hydroxy-[(1S)-1-hydroxy-2-(trimethylazaniumyl)ethyl]phosphinate.
What is the SMILES notation for hydroxy-[(1S)-1-hydroxy-2-(trimethylazaniumyl)ethyl]phosphinate?
The canonical SMILES for hydroxy-[(1S)-1-hydroxy-2-(trimethylazaniumyl)ethyl]phosphinate is C[N+](C)(C)C[C@@H](O)P(=O)([O-])O.
What is the InChIKey of hydroxy-[(1S)-1-hydroxy-2-(trimethylazaniumyl)ethyl]phosphinate?
The InChIKey is YJIOAKRBBHTUPD-YFKPBYRVSA-N. The full InChI is InChI=1S/C5H14NO4P/c1-6(2,3)4-5(7)11(8,9)10/h5,7H,4H2,1-3H3,(H-,8,9,10)/t5-/m0/s1.
What are the key properties of hydroxy-[(1S)-1-hydroxy-2-(trimethylazaniumyl)ethyl]phosphinate?
hydroxy-[(1S)-1-hydroxy-2-(trimethylazaniumyl)ethyl]phosphinate has a molecular weight of 183.14 g/mol, XLogP of -1.44, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-[(1S)-1-hydroxy-2-(trimethylazaniumyl)ethyl]phosphinate is sourced from PubChem (CID 154573045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).