(5-hydroxy-1-phosphonopentyl)phosphonic acid

C5H14O7P2 — CID 54062023

IUPAC(5-hydroxy-1-phosphonopentyl)phosphonic acid
SMILESO=P(O)(O)C(CCCCO)P(=O)(O)O
InChIInChI=1S/C5H14O7P2/c6-4-2-1-3-5(13(7,8)9)14(10,11)12/h5-6H,1-4H2,(H2,7,8,9)(H2,10,11,12)
InChIKeyMAJPKQNJKCPDOV-UHFFFAOYSA-N
MW248.11 g/mol
LogP-0.17
Rot. Bonds6

About (5-hydroxy-1-phosphonopentyl)phosphonic acid

(5-hydroxy-1-phosphonopentyl)phosphonic acid (PubChem CID 54062023) has the molecular formula C5H14O7P2 and a molecular weight of 248.11 g/mol. Its IUPAC name is (5-hydroxy-1-phosphonopentyl)phosphonic acid.

Molecular Properties

Compound Name(5-hydroxy-1-phosphonopentyl)phosphonic acid
PubChem CID54062023
Molecular FormulaC5H14O7P2
Molecular Weight248.11 g/mol
Exact Mass248.02
IUPAC Name(5-hydroxy-1-phosphonopentyl)phosphonic acid
SMILESO=P(O)(O)C(CCCCO)P(=O)(O)O
InChIInChI=1S/C5H14O7P2/c6-4-2-1-3-5(13(7,8)9)14(10,11)12/h5-6H,1-4H2,(H2,7,8,9)(H2,10,11,12)
InChIKeyMAJPKQNJKCPDOV-UHFFFAOYSA-N
XLogP-0.17
TPSA135.29 Ų
H-Bond Donors5
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.11
LogP ≤ 5-0.17
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(12-hydroxy-1-phosphonododecyl)phosphonic acid
CID 18962773
1,12,12-triphosphonododecylphosphonic acid
CID 175021519
1-phosphonoicosylphosphonic acid
CID 139609780
1-phosphonododecylphosphonic acid
CID 6454178
1-[hydroxy(methyl)phosphoryl]undecylphosphonic acid
CID 21054126
6-methylheptan-1-ol;phosphoric acid
CID 138394969
6-methylheptan-1-ol;phosphoric acid;zirconium
CID 174855290
[2,2-bis(diphosphonomethyl)-1,6,6-triphosphonohexyl]phosphonic acid
CID 22146136
butane-1,4-diol;bis(dimethylphosphinic acid)
CID 87843342
(2-methyl-1,6,6-triphosphonohexyl)phosphonic acid
CID 130302847
heptacosane-1,10,27-triol
CID 56980866
hexacosane-1,8,19,26-tetrol
CID 167004997

Frequently Asked Questions

What is the IUPAC name of (5-hydroxy-1-phosphonopentyl)phosphonic acid?
The IUPAC name of (5-hydroxy-1-phosphonopentyl)phosphonic acid (CID 54062023) is (5-hydroxy-1-phosphonopentyl)phosphonic acid.
What is the SMILES notation for (5-hydroxy-1-phosphonopentyl)phosphonic acid?
The canonical SMILES for (5-hydroxy-1-phosphonopentyl)phosphonic acid is O=P(O)(O)C(CCCCO)P(=O)(O)O.
What is the InChIKey of (5-hydroxy-1-phosphonopentyl)phosphonic acid?
The InChIKey is MAJPKQNJKCPDOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14O7P2/c6-4-2-1-3-5(13(7,8)9)14(10,11)12/h5-6H,1-4H2,(H2,7,8,9)(H2,10,11,12).
What are the key properties of (5-hydroxy-1-phosphonopentyl)phosphonic acid?
(5-hydroxy-1-phosphonopentyl)phosphonic acid has a molecular weight of 248.11 g/mol, XLogP of -0.17, 6 rotatable bonds, 5 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-hydroxy-1-phosphonopentyl)phosphonic acid is sourced from PubChem (CID 54062023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).