2,3,4-trihydroxy-5-phosphonooxypentanoic acid

C5H11O9P — CID 3283969

IUPAC2,3,4-trihydroxy-5-phosphonooxypentanoic acid
SMILESO=C(O)C(O)C(O)C(O)COP(=O)(O)O
InChIInChI=1S/C5H11O9P/c6-2(1-14-15(11,12)13)3(7)4(8)5(9)10/h2-4,6-8H,1H2,(H,9,10)(H2,11,12,13)
InChIKeyHNECGPFIYSOYHF-UHFFFAOYSA-N
MW246.11 g/mol
LogP-2.74
Rot. Bonds6

About 2,3,4-trihydroxy-5-phosphonooxypentanoic acid

2,3,4-trihydroxy-5-phosphonooxypentanoic acid (PubChem CID 3283969) has the molecular formula C5H11O9P and a molecular weight of 246.11 g/mol. Its IUPAC name is 2,3,4-trihydroxy-5-phosphonooxypentanoic acid.

Molecular Properties

Compound Name2,3,4-trihydroxy-5-phosphonooxypentanoic acid
PubChem CID3283969
Molecular FormulaC5H11O9P
Molecular Weight246.11 g/mol
Exact Mass246.01
IUPAC Name2,3,4-trihydroxy-5-phosphonooxypentanoic acid
SMILESO=C(O)C(O)C(O)C(O)COP(=O)(O)O
InChIInChI=1S/C5H11O9P/c6-2(1-14-15(11,12)13)3(7)4(8)5(9)10/h2-4,6-8H,1H2,(H,9,10)(H2,11,12,13)
InChIKeyHNECGPFIYSOYHF-UHFFFAOYSA-N
XLogP-2.74
TPSA164.75 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500246.11
LogP ≤ 5-2.74
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

GLUCONIC ACID 6-(DIHYDROGEN PHOSPHATE), BARIUM SALT
CID 126960458
[(2R,3R,4S)-2,3,4-trihydroxy-5-oxoheptyl] dihydrogen phosphate
CID 102452330
[2,3,4-trihydroxy-5-(hydroxyamino)-5-oxopentyl] dihydrogen phosphate
CID 3286786
[(2R,3R,4S)-2,3,4-trihydroxy-5-oxo-6-phosphonooxyhexyl] dihydrogen phosphate;hydrate
CID 138611496
2,3,4,5,6-pentahydroxyhexanoic acid;(2,3,4,5-tetrahydroxy-6-oxohexyl) dihydrogen phosphate
CID 175010612
sodium;hydride;[(2R,3R,4S)-2,3,4,6-tetrahydroxy-5-oxohexyl] dihydrogen phosphate
CID 173404445
[(2R,3R,4R,5S)-2,3,4,5-tetrahydroxy-6-oxoheptyl] dihydrogen phosphate
CID 15942876
(6-fluoro-2,3,4,5-tetrahydroxy-6-oxohexyl) dihydrogen phosphate
CID 175056862
2-amino-3-hydroxy-4-phosphonooxybutanoic acid
CID 1007
2-ethylhexan-1-ol;2,3,4,5-tetrahydroxy-6-phosphonooxyhexanoic acid
CID 175553012
[(2R,3R,4R,5S)-2,3,4,5-tetrahydroxy-6-oxooctyl] dihydrogen phosphate
CID 132606689
[(2R,3R,4R)-2,3,4,5,6-pentahydroxy-7-oxo-8-phosphonooxyoctyl] dihydrogen phosphate
CID 135053948

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trihydroxy-5-phosphonooxypentanoic acid?
The IUPAC name of 2,3,4-trihydroxy-5-phosphonooxypentanoic acid (CID 3283969) is 2,3,4-trihydroxy-5-phosphonooxypentanoic acid.
What is the SMILES notation for 2,3,4-trihydroxy-5-phosphonooxypentanoic acid?
The canonical SMILES for 2,3,4-trihydroxy-5-phosphonooxypentanoic acid is O=C(O)C(O)C(O)C(O)COP(=O)(O)O.
What is the InChIKey of 2,3,4-trihydroxy-5-phosphonooxypentanoic acid?
The InChIKey is HNECGPFIYSOYHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11O9P/c6-2(1-14-15(11,12)13)3(7)4(8)5(9)10/h2-4,6-8H,1H2,(H,9,10)(H2,11,12,13).
What are the key properties of 2,3,4-trihydroxy-5-phosphonooxypentanoic acid?
2,3,4-trihydroxy-5-phosphonooxypentanoic acid has a molecular weight of 246.11 g/mol, XLogP of -2.74, 6 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trihydroxy-5-phosphonooxypentanoic acid is sourced from PubChem (CID 3283969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).