(1,5-dioxo-4-phosphonopentan-2-yl)phosphonic acid

C5H10O8P2 — CID 15371971

IUPAC(1,5-dioxo-4-phosphonopentan-2-yl)phosphonic acid
SMILESO=CC(CC(C=O)P(=O)(O)O)P(=O)(O)O
InChIInChI=1S/C5H10O8P2/c6-2-4(14(8,9)10)1-5(3-7)15(11,12)13/h2-5H,1H2,(H2,8,9,10)(H2,11,12,13)
InChIKeyFJJZOCOQHCJPTQ-UHFFFAOYSA-N
MW260.07 g/mol
LogP-1.13
Rot. Bonds6

About (1,5-dioxo-4-phosphonopentan-2-yl)phosphonic acid

(1,5-dioxo-4-phosphonopentan-2-yl)phosphonic acid (PubChem CID 15371971) has the molecular formula C5H10O8P2 and a molecular weight of 260.07 g/mol. Its IUPAC name is (1,5-dioxo-4-phosphonopentan-2-yl)phosphonic acid.

Molecular Properties

Compound Name(1,5-dioxo-4-phosphonopentan-2-yl)phosphonic acid
PubChem CID15371971
Molecular FormulaC5H10O8P2
Molecular Weight260.07 g/mol
Exact Mass259.99
IUPAC Name(1,5-dioxo-4-phosphonopentan-2-yl)phosphonic acid
SMILESO=CC(CC(C=O)P(=O)(O)O)P(=O)(O)O
InChIInChI=1S/C5H10O8P2/c6-2-4(14(8,9)10)1-5(3-7)15(11,12)13/h2-5H,1H2,(H2,8,9,10)(H2,11,12,13)
InChIKeyFJJZOCOQHCJPTQ-UHFFFAOYSA-N
XLogP-1.13
TPSA149.20 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.07
LogP ≤ 5-1.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

phosphonomethylphosphonic acid;2,3,4,5-tetrahydroxypentanal
CID 174934677
(3-hydroxy-4-oxobutyl)phosphonic acid
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(1,2,3,4-tetrahydroxy-5-oxopentyl)phosphonic acid
CID 19890996
[(2S,3S,5R)-1,2,3,5-tetrahydroxy-6-oxohexyl]phosphonic acid
CID 174388797
[(2R,3R,4R)-2,3,4-trihydroxy-5-oxo(513C)pentyl] dihydrogen phosphate
CID 14029335
ethylphosphonic acid;zirconium
CID 161117919
1-iminobutan-2-ylphosphonic acid
CID 175269610
(2S,3R,4R,5S)-2,3,4,5,6-pentahydroxyhexanal;phosphoric acid
CID 159752699
1,1,5,5-tetraphosphonopentan-3-ylphosphonic acid
CID 137460063
(2-hydroxy-3-oxopropyl) dihydrogen phosphate;[(2R,3S,4R)-2,3,4-trihydroxy-5-oxopentyl] dihydrogen phosphate
CID 162052585
[(E)-4-phosphonobut-2-enyl]phosphonic acid
CID 19104465
butanedial;phosphoric acid
CID 138592016

Frequently Asked Questions

What is the IUPAC name of (1,5-dioxo-4-phosphonopentan-2-yl)phosphonic acid?
The IUPAC name of (1,5-dioxo-4-phosphonopentan-2-yl)phosphonic acid (CID 15371971) is (1,5-dioxo-4-phosphonopentan-2-yl)phosphonic acid.
What is the SMILES notation for (1,5-dioxo-4-phosphonopentan-2-yl)phosphonic acid?
The canonical SMILES for (1,5-dioxo-4-phosphonopentan-2-yl)phosphonic acid is O=CC(CC(C=O)P(=O)(O)O)P(=O)(O)O.
What is the InChIKey of (1,5-dioxo-4-phosphonopentan-2-yl)phosphonic acid?
The InChIKey is FJJZOCOQHCJPTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O8P2/c6-2-4(14(8,9)10)1-5(3-7)15(11,12)13/h2-5H,1H2,(H2,8,9,10)(H2,11,12,13).
What are the key properties of (1,5-dioxo-4-phosphonopentan-2-yl)phosphonic acid?
(1,5-dioxo-4-phosphonopentan-2-yl)phosphonic acid has a molecular weight of 260.07 g/mol, XLogP of -1.13, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1,5-dioxo-4-phosphonopentan-2-yl)phosphonic acid is sourced from PubChem (CID 15371971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).