phosphoric acid;2,4,5-trihydroxypentanoic acid

C5H13O9P — CID 175386641

IUPACphosphoric acid;2,4,5-trihydroxypentanoic acid
SMILESO=C(O)C(O)CC(O)CO.O=P(O)(O)O
InChIInChI=1S/C5H10O5.H3O4P/c6-2-3(7)1-4(8)5(9)10;1-5(2,3)4/h3-4,6-8H,1-2H2,(H,9,10);(H3,1,2,3,4)
InChIKeyLLZOKHFCZHIWHH-UHFFFAOYSA-N
MW248.12 g/mol
LogP-2.75
Rot. Bonds4

About phosphoric acid;2,4,5-trihydroxypentanoic acid

phosphoric acid;2,4,5-trihydroxypentanoic acid (PubChem CID 175386641) has the molecular formula C5H13O9P and a molecular weight of 248.12 g/mol. Its IUPAC name is phosphoric acid;2,4,5-trihydroxypentanoic acid.

Molecular Properties

Compound Namephosphoric acid;2,4,5-trihydroxypentanoic acid
PubChem CID175386641
Molecular FormulaC5H13O9P
Molecular Weight248.12 g/mol
Exact Mass248.03
IUPAC Namephosphoric acid;2,4,5-trihydroxypentanoic acid
SMILESO=C(O)C(O)CC(O)CO.O=P(O)(O)O
InChIInChI=1S/C5H10O5.H3O4P/c6-2-3(7)1-4(8)5(9)10;1-5(2,3)4/h3-4,6-8H,1-2H2,(H,9,10);(H3,1,2,3,4)
InChIKeyLLZOKHFCZHIWHH-UHFFFAOYSA-N
XLogP-2.75
TPSA175.75 Ų
H-Bond Donors7
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500248.12
LogP ≤ 5-2.75
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

phosphoric acid;(2R,4R,5R)-2,4,5,6-tetrahydroxyhexanoic acid
CID 87191491
iron;phosphoric acid;propane-1,2,3-triol
CID 160506049
CID 87292853
CID 87292853
(3S,5R)-3,5,6-trihydroxyhexan-2-one
CID 141478041
2,3-dihydroxypropanoic acid
CID 175601105
4-(10,11-dihydroxyundecyl)-2,6-dihydroxyheptanedioic acid
CID 91273164
(2R,4R)-2,5-dihydroxy-4-methylpentanoic acid
CID 141248339
(4S)-2-amino-4,5-dihydroxypentanoic acid
CID 58205958
2-methylprop-2-enoic acid;phosphoric acid;propane-1,2,3-triol
CID 122512063
CID 158303129
CID 158303129
tetrakis(2,3-dihydroxypropanoic acid);silane
CID 174191422
alumane;2,3-dihydroxypropanoic acid
CID 173322444

Frequently Asked Questions

What is the IUPAC name of phosphoric acid;2,4,5-trihydroxypentanoic acid?
The IUPAC name of phosphoric acid;2,4,5-trihydroxypentanoic acid (CID 175386641) is phosphoric acid;2,4,5-trihydroxypentanoic acid.
What is the SMILES notation for phosphoric acid;2,4,5-trihydroxypentanoic acid?
The canonical SMILES for phosphoric acid;2,4,5-trihydroxypentanoic acid is O=C(O)C(O)CC(O)CO.O=P(O)(O)O.
What is the InChIKey of phosphoric acid;2,4,5-trihydroxypentanoic acid?
The InChIKey is LLZOKHFCZHIWHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O5.H3O4P/c6-2-3(7)1-4(8)5(9)10;1-5(2,3)4/h3-4,6-8H,1-2H2,(H,9,10);(H3,1,2,3,4).
What are the key properties of phosphoric acid;2,4,5-trihydroxypentanoic acid?
phosphoric acid;2,4,5-trihydroxypentanoic acid has a molecular weight of 248.12 g/mol, XLogP of -2.75, 4 rotatable bonds, 7 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phosphoric acid;2,4,5-trihydroxypentanoic acid is sourced from PubChem (CID 175386641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).