bis(1,2,3-trihydroxypropyl)phosphinic acid

C6H15O8P — CID 71336161

IUPACbis(1,2,3-trihydroxypropyl)phosphinic acid
SMILESO=P(O)(C(O)C(O)CO)C(O)C(O)CO
InChIInChI=1S/C6H15O8P/c7-1-3(9)5(11)15(13,14)6(12)4(10)2-8/h3-12H,1-2H2,(H,13,14)
InChIKeyJIUWKMSLWHJLFG-UHFFFAOYSA-N
MW246.15 g/mol
LogP-3.40
Rot. Bonds6

About bis(1,2,3-trihydroxypropyl)phosphinic acid

bis(1,2,3-trihydroxypropyl)phosphinic acid (PubChem CID 71336161) has the molecular formula C6H15O8P and a molecular weight of 246.15 g/mol. Its IUPAC name is bis(1,2,3-trihydroxypropyl)phosphinic acid.

Molecular Properties

Compound Namebis(1,2,3-trihydroxypropyl)phosphinic acid
PubChem CID71336161
Molecular FormulaC6H15O8P
Molecular Weight246.15 g/mol
Exact Mass246.05
IUPAC Namebis(1,2,3-trihydroxypropyl)phosphinic acid
SMILESO=P(O)(C(O)C(O)CO)C(O)C(O)CO
InChIInChI=1S/C6H15O8P/c7-1-3(9)5(11)15(13,14)6(12)4(10)2-8/h3-12H,1-2H2,(H,13,14)
InChIKeyJIUWKMSLWHJLFG-UHFFFAOYSA-N
XLogP-3.40
TPSA158.68 Ų
H-Bond Donors7
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500246.15
LogP ≤ 5-3.40
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

[(2S)-1,2,3-trihydroxypropyl]phosphonic acid
CID 18603786
aminophosphonic acid;3,4,5-trihydroxypentanal
CID 174567832
pentane-1,2,3,4-tetrol;phosphoric acid
CID 174620761
(2R,3S)-pentane-1,2,3,4-tetrol;phosphoric acid
CID 159509366
(2R,3R,4R,5S)-6-aminohexane-1,2,3,4,5-pentol;phosphoric acid
CID 87218150
CID 87292853
CID 87292853
iron;phosphoric acid;propane-1,2,3-triol
CID 160506049
[(2S,3S)-1,2,3,4-tetrahydroxybutyl] dihydrogen phosphate
CID 174690101
[(2R,3S,4S)-2,3,4,5-tetrahydroxypentyl] [(2S,3R,4R)-2,3,4,5-tetrahydroxypentyl] hydrogen phosphate
CID 91851104
phosphoric acid;(2R,4R,5R)-2,4,5,6-tetrahydroxyhexanoic acid
CID 87191491
[(3S,4R)-3,4,5-trihydroxypentyl] dihydrogen phosphate
CID 101416301
(2S,3R,4R,5S)-2,3,4,5,6-pentahydroxyhexanal;phosphoric acid
CID 159752699

Frequently Asked Questions

What is the IUPAC name of bis(1,2,3-trihydroxypropyl)phosphinic acid?
The IUPAC name of bis(1,2,3-trihydroxypropyl)phosphinic acid (CID 71336161) is bis(1,2,3-trihydroxypropyl)phosphinic acid.
What is the SMILES notation for bis(1,2,3-trihydroxypropyl)phosphinic acid?
The canonical SMILES for bis(1,2,3-trihydroxypropyl)phosphinic acid is O=P(O)(C(O)C(O)CO)C(O)C(O)CO.
What is the InChIKey of bis(1,2,3-trihydroxypropyl)phosphinic acid?
The InChIKey is JIUWKMSLWHJLFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15O8P/c7-1-3(9)5(11)15(13,14)6(12)4(10)2-8/h3-12H,1-2H2,(H,13,14).
What are the key properties of bis(1,2,3-trihydroxypropyl)phosphinic acid?
bis(1,2,3-trihydroxypropyl)phosphinic acid has a molecular weight of 246.15 g/mol, XLogP of -3.40, 6 rotatable bonds, 7 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1,2,3-trihydroxypropyl)phosphinic acid is sourced from PubChem (CID 71336161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).