hydroxy-[(2S)-2-hydroxy-3-(trimethylazaniumyl)propyl]phosphinate

C6H16NO4P — CID 10081411

IUPAChydroxy-[(2S)-2-hydroxy-3-(trimethylazaniumyl)propyl]phosphinate
SMILESC[N+](C)(C)C[C@H](O)CP(=O)([O-])O
InChIInChI=1S/C6H16NO4P/c1-7(2,3)4-6(8)5-12(9,10)11/h6,8H,4-5H2,1-3H3,(H-,9,10,11)/t6-/m0/s1
InChIKeyCFKIUJQHVVMWGR-LURJTMIESA-N
MW197.17 g/mol
LogP-1.40
Rot. Bonds4

About hydroxy-[(2S)-2-hydroxy-3-(trimethylazaniumyl)propyl]phosphinate

hydroxy-[(2S)-2-hydroxy-3-(trimethylazaniumyl)propyl]phosphinate (PubChem CID 10081411) has the molecular formula C6H16NO4P and a molecular weight of 197.17 g/mol. Its IUPAC name is hydroxy-[(2S)-2-hydroxy-3-(trimethylazaniumyl)propyl]phosphinate.

Molecular Properties

Compound Namehydroxy-[(2S)-2-hydroxy-3-(trimethylazaniumyl)propyl]phosphinate
PubChem CID10081411
Molecular FormulaC6H16NO4P
Molecular Weight197.17 g/mol
Exact Mass197.08
IUPAC Namehydroxy-[(2S)-2-hydroxy-3-(trimethylazaniumyl)propyl]phosphinate
SMILESC[N+](C)(C)C[C@H](O)CP(=O)([O-])O
InChIInChI=1S/C6H16NO4P/c1-7(2,3)4-6(8)5-12(9,10)11/h6,8H,4-5H2,1-3H3,(H-,9,10,11)/t6-/m0/s1
InChIKeyCFKIUJQHVVMWGR-LURJTMIESA-N
XLogP-1.40
TPSA80.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.17
LogP ≤ 5-1.40
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-[(2S)-2-hydroxy-3-(trimethylazaniumyl)propyl]phosphinate?
The IUPAC name of hydroxy-[(2S)-2-hydroxy-3-(trimethylazaniumyl)propyl]phosphinate (CID 10081411) is hydroxy-[(2S)-2-hydroxy-3-(trimethylazaniumyl)propyl]phosphinate.
What is the SMILES notation for hydroxy-[(2S)-2-hydroxy-3-(trimethylazaniumyl)propyl]phosphinate?
The canonical SMILES for hydroxy-[(2S)-2-hydroxy-3-(trimethylazaniumyl)propyl]phosphinate is C[N+](C)(C)C[C@H](O)CP(=O)([O-])O.
What is the InChIKey of hydroxy-[(2S)-2-hydroxy-3-(trimethylazaniumyl)propyl]phosphinate?
The InChIKey is CFKIUJQHVVMWGR-LURJTMIESA-N. The full InChI is InChI=1S/C6H16NO4P/c1-7(2,3)4-6(8)5-12(9,10)11/h6,8H,4-5H2,1-3H3,(H-,9,10,11)/t6-/m0/s1.
What are the key properties of hydroxy-[(2S)-2-hydroxy-3-(trimethylazaniumyl)propyl]phosphinate?
hydroxy-[(2S)-2-hydroxy-3-(trimethylazaniumyl)propyl]phosphinate has a molecular weight of 197.17 g/mol, XLogP of -1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-[(2S)-2-hydroxy-3-(trimethylazaniumyl)propyl]phosphinate is sourced from PubChem (CID 10081411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).