hydroxy-[(2S)-2-hydroxypropyl]phosphinate

C3H8O4P- — CID 25244355

IUPAChydroxy-[(2S)-2-hydroxypropyl]phosphinate
SMILESC[C@H](O)CP(=O)([O-])O
InChIInChI=1S/C3H9O4P/c1-3(4)2-8(5,6)7/h3-4H,2H2,1H3,(H2,5,6,7)/p-1/t3-/m0/s1
InChIKeyZFVCONUOLQASEW-VKHMYHEASA-M
MW139.07 g/mol
LogP-1.09
Rot. Bonds2

About hydroxy-[(2S)-2-hydroxypropyl]phosphinate

hydroxy-[(2S)-2-hydroxypropyl]phosphinate (PubChem CID 25244355) has the molecular formula C3H8O4P- and a molecular weight of 139.07 g/mol. Its IUPAC name is hydroxy-[(2S)-2-hydroxypropyl]phosphinate.

Molecular Properties

Compound Namehydroxy-[(2S)-2-hydroxypropyl]phosphinate
PubChem CID25244355
Molecular FormulaC3H8O4P-
Molecular Weight139.07 g/mol
Exact Mass139.02
IUPAC Namehydroxy-[(2S)-2-hydroxypropyl]phosphinate
SMILESC[C@H](O)CP(=O)([O-])O
InChIInChI=1S/C3H9O4P/c1-3(4)2-8(5,6)7/h3-4H,2H2,1H3,(H2,5,6,7)/p-1/t3-/m0/s1
InChIKeyZFVCONUOLQASEW-VKHMYHEASA-M
XLogP-1.09
TPSA80.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.07
LogP ≤ 5-1.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of hydroxy-[(2S)-2-hydroxypropyl]phosphinate?
The IUPAC name of hydroxy-[(2S)-2-hydroxypropyl]phosphinate (CID 25244355) is hydroxy-[(2S)-2-hydroxypropyl]phosphinate.
What is the SMILES notation for hydroxy-[(2S)-2-hydroxypropyl]phosphinate?
The canonical SMILES for hydroxy-[(2S)-2-hydroxypropyl]phosphinate is C[C@H](O)CP(=O)([O-])O.
What is the InChIKey of hydroxy-[(2S)-2-hydroxypropyl]phosphinate?
The InChIKey is ZFVCONUOLQASEW-VKHMYHEASA-M. The full InChI is InChI=1S/C3H9O4P/c1-3(4)2-8(5,6)7/h3-4H,2H2,1H3,(H2,5,6,7)/p-1/t3-/m0/s1.
What are the key properties of hydroxy-[(2S)-2-hydroxypropyl]phosphinate?
hydroxy-[(2S)-2-hydroxypropyl]phosphinate has a molecular weight of 139.07 g/mol, XLogP of -1.09, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-[(2S)-2-hydroxypropyl]phosphinate is sourced from PubChem (CID 25244355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).