aminophosphonic acid;3,4,5-trihydroxypentanal

C5H14NO7P — CID 174567832

IUPACaminophosphonic acid;3,4,5-trihydroxypentanal
SMILESNP(=O)(O)O.O=CCC(O)C(O)CO
InChIInChI=1S/C5H10O4.H4NO3P/c6-2-1-4(8)5(9)3-7;1-5(2,3)4/h2,4-5,7-9H,1,3H2;(H4,1,2,3,4)
InChIKeyGTEBPUZTKQJIED-UHFFFAOYSA-N
MW231.14 g/mol
LogP-2.67
Rot. Bonds4

About aminophosphonic acid;3,4,5-trihydroxypentanal

aminophosphonic acid;3,4,5-trihydroxypentanal (PubChem CID 174567832) has the molecular formula C5H14NO7P and a molecular weight of 231.14 g/mol. Its IUPAC name is aminophosphonic acid;3,4,5-trihydroxypentanal.

Molecular Properties

Compound Nameaminophosphonic acid;3,4,5-trihydroxypentanal
PubChem CID174567832
Molecular FormulaC5H14NO7P
Molecular Weight231.14 g/mol
Exact Mass231.05
IUPAC Nameaminophosphonic acid;3,4,5-trihydroxypentanal
SMILESNP(=O)(O)O.O=CCC(O)C(O)CO
InChIInChI=1S/C5H10O4.H4NO3P/c6-2-1-4(8)5(9)3-7;1-5(2,3)4/h2,4-5,7-9H,1,3H2;(H4,1,2,3,4)
InChIKeyGTEBPUZTKQJIED-UHFFFAOYSA-N
XLogP-2.67
TPSA161.31 Ų
H-Bond Donors6
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500231.14
LogP ≤ 5-2.67
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(3S,4R)-3,4,5-trihydroxypentanal;3,4,5-trihydroxypentanal
CID 155345176
(3S,4S)-3,4,5-trihydroxypentanal
CID 6994526
(3R,4R)-3,4-dihydroxyhexanedial
CID 130673483
(3R,4S,5S)-3,4,5,6-tetrahydroxyhexanal
CID 10352022
3-prop-2-enoxyprop-1-ene;3,4,5-trihydroxypentanal
CID 175306562
[(2R,3S,4R)-1,3,4-trihydroxy-6-oxohexan-2-yl] dihydrogen phosphate
CID 154176240
acetamide;3,4,5,6-tetrahydroxyhexanal
CID 174642001
[(1S,2S)-1-[(1R)-1,2-dihydroxyethyl]-4-oxo-2-phosphonooxybutyl] dihydrogen phosphate
CID 21124437
[(2S)-1,2,3-trihydroxypropyl]phosphonic acid
CID 18603786
bis(1,2,3-trihydroxypropyl)phosphinic acid
CID 71336161
6-amino-1H-pyrimidin-2-one;diphosphono hydrogen phosphate;3,4,5-trihydroxypentanal
CID 174839766
(3R,4S)-3,4-dihydroxyhexanal
CID 59992906

Frequently Asked Questions

What is the IUPAC name of aminophosphonic acid;3,4,5-trihydroxypentanal?
The IUPAC name of aminophosphonic acid;3,4,5-trihydroxypentanal (CID 174567832) is aminophosphonic acid;3,4,5-trihydroxypentanal.
What is the SMILES notation for aminophosphonic acid;3,4,5-trihydroxypentanal?
The canonical SMILES for aminophosphonic acid;3,4,5-trihydroxypentanal is NP(=O)(O)O.O=CCC(O)C(O)CO.
What is the InChIKey of aminophosphonic acid;3,4,5-trihydroxypentanal?
The InChIKey is GTEBPUZTKQJIED-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O4.H4NO3P/c6-2-1-4(8)5(9)3-7;1-5(2,3)4/h2,4-5,7-9H,1,3H2;(H4,1,2,3,4).
What are the key properties of aminophosphonic acid;3,4,5-trihydroxypentanal?
aminophosphonic acid;3,4,5-trihydroxypentanal has a molecular weight of 231.14 g/mol, XLogP of -2.67, 4 rotatable bonds, 6 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for aminophosphonic acid;3,4,5-trihydroxypentanal is sourced from PubChem (CID 174567832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).