5-[hydroxy(methyl)phosphoryl]oxypentanoic acid

C6H13O5P — CID 139636947

IUPAC5-[hydroxy(methyl)phosphoryl]oxypentanoic acid
SMILESCP(=O)(O)OCCCCC(=O)O
InChIInChI=1S/C6H13O5P/c1-12(9,10)11-5-3-2-4-6(7)8/h2-5H2,1H3,(H,7,8)(H,9,10)
InChIKeyRCLISKBNUYZBFG-UHFFFAOYSA-N
MW196.14 g/mol
LogP1.07
Rot. Bonds6

About 5-[hydroxy(methyl)phosphoryl]oxypentanoic acid

5-[hydroxy(methyl)phosphoryl]oxypentanoic acid (PubChem CID 139636947) has the molecular formula C6H13O5P and a molecular weight of 196.14 g/mol. Its IUPAC name is 5-[hydroxy(methyl)phosphoryl]oxypentanoic acid.

Molecular Properties

Compound Name5-[hydroxy(methyl)phosphoryl]oxypentanoic acid
PubChem CID139636947
Molecular FormulaC6H13O5P
Molecular Weight196.14 g/mol
Exact Mass196.05
IUPAC Name5-[hydroxy(methyl)phosphoryl]oxypentanoic acid
SMILESCP(=O)(O)OCCCCC(=O)O
InChIInChI=1S/C6H13O5P/c1-12(9,10)11-5-3-2-4-6(7)8/h2-5H2,1H3,(H,7,8)(H,9,10)
InChIKeyRCLISKBNUYZBFG-UHFFFAOYSA-N
XLogP1.07
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.14
LogP ≤ 51.07
H-Bond Donors ≤ 52
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

35-phosphonooxypentatriacontanoic acid
CID 87686848
24-phosphonooxytetracosanoic acid
CID 87680802
octadecanoic acid;trioctyl phosphate
CID 87588558
methyl(6-sulfanylhexoxy)phosphinic acid
CID 59539997
methyl-[6-oxo-6-(prop-2-ynylamino)hexoxy]phosphinic acid
CID 122427742
4-[ethoxy(hydroxy)phosphoryl]oxybutoxy-methylphosphinic acid
CID 58291192
6-aminohexoxy(methyl)phosphinic acid;ethane
CID 166146480
methyl-[6-(pentacosanoylamino)hexoxy]phosphinic acid
CID 167537809
(Z)-octadec-9-enoic acid;[(Z)-octadec-9-enyl] dihydrogen phosphate
CID 157438661
6-(hexoxy-methyl-methylimino-λ5-phosphanyl)oxyhexanoic acid;methane
CID 159665486
10-[ethoxy(hydroxy)phosphoryl]decanoic acid
CID 22016460
hexadecyl dihydrogen phosphate;2-(2-hydroxyethylamino)ethanol;octadecanoic acid
CID 88516140

Frequently Asked Questions

What is the IUPAC name of 5-[hydroxy(methyl)phosphoryl]oxypentanoic acid?
The IUPAC name of 5-[hydroxy(methyl)phosphoryl]oxypentanoic acid (CID 139636947) is 5-[hydroxy(methyl)phosphoryl]oxypentanoic acid.
What is the SMILES notation for 5-[hydroxy(methyl)phosphoryl]oxypentanoic acid?
The canonical SMILES for 5-[hydroxy(methyl)phosphoryl]oxypentanoic acid is CP(=O)(O)OCCCCC(=O)O.
What is the InChIKey of 5-[hydroxy(methyl)phosphoryl]oxypentanoic acid?
The InChIKey is RCLISKBNUYZBFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13O5P/c1-12(9,10)11-5-3-2-4-6(7)8/h2-5H2,1H3,(H,7,8)(H,9,10).
What are the key properties of 5-[hydroxy(methyl)phosphoryl]oxypentanoic acid?
5-[hydroxy(methyl)phosphoryl]oxypentanoic acid has a molecular weight of 196.14 g/mol, XLogP of 1.07, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[hydroxy(methyl)phosphoryl]oxypentanoic acid is sourced from PubChem (CID 139636947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).