4-diethoxyphosphoryl-5-hydroxypentanoic acid

C9H19O6P — CID 175815296

IUPAC4-diethoxyphosphoryl-5-hydroxypentanoic acid
SMILESCCOP(=O)(OCC)C(CO)CCC(=O)O
InChIInChI=1S/C9H19O6P/c1-3-14-16(13,15-4-2)8(7-10)5-6-9(11)12/h8,10H,3-7H2,1-2H3,(H,11,12)
InChIKeyWUDRAEVKJSWYCO-UHFFFAOYSA-N
MW254.22 g/mol
LogP1.48
Rot. Bonds9

About 4-diethoxyphosphoryl-5-hydroxypentanoic acid

4-diethoxyphosphoryl-5-hydroxypentanoic acid (PubChem CID 175815296) has the molecular formula C9H19O6P and a molecular weight of 254.22 g/mol. Its IUPAC name is 4-diethoxyphosphoryl-5-hydroxypentanoic acid.

Molecular Properties

Compound Name4-diethoxyphosphoryl-5-hydroxypentanoic acid
PubChem CID175815296
Molecular FormulaC9H19O6P
Molecular Weight254.22 g/mol
Exact Mass254.09
IUPAC Name4-diethoxyphosphoryl-5-hydroxypentanoic acid
SMILESCCOP(=O)(OCC)C(CO)CCC(=O)O
InChIInChI=1S/C9H19O6P/c1-3-14-16(13,15-4-2)8(7-10)5-6-9(11)12/h8,10H,3-7H2,1-2H3,(H,11,12)
InChIKeyWUDRAEVKJSWYCO-UHFFFAOYSA-N
XLogP1.48
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.22
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2,5-bis(diethoxyphosphoryl)hexanedioic acid
CID 54116909
3,3-bis(diethoxyphosphoryl)propanoic acid
CID 19689030
2-(diethoxyphosphorylmethyl)pentanedioic acid
CID 118871925
3-diethoxyphosphoryl-4-oxobutanoic acid
CID 175777470
2-[2,2-bis(diethoxyphosphoryl)ethylamino]acetic acid
CID 134831128
2-methylperoxypentanedioic acid
CID 87972378
(4R)-4-(hydroxymethyl)hexanoic acid
CID 131845263
3-phosphonopentane-1,1,5-tricarboxylic acid
CID 88804998
2-[2,2-bis(diethoxyphosphoryl)ethyl]propanedioic acid
CID 23283927
(4S)-5-amino-4-(diethoxyphosphorylmethylamino)-5-oxopentanoic acid
CID 46931731
2-[bis[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phosphorylmethyl]pentanedioic acid
CID 134564914
2-[bis(3-ethoxypropoxy)phosphorylmethyl]pentanedioic acid
CID 140903597

Frequently Asked Questions

What is the IUPAC name of 4-diethoxyphosphoryl-5-hydroxypentanoic acid?
The IUPAC name of 4-diethoxyphosphoryl-5-hydroxypentanoic acid (CID 175815296) is 4-diethoxyphosphoryl-5-hydroxypentanoic acid.
What is the SMILES notation for 4-diethoxyphosphoryl-5-hydroxypentanoic acid?
The canonical SMILES for 4-diethoxyphosphoryl-5-hydroxypentanoic acid is CCOP(=O)(OCC)C(CO)CCC(=O)O.
What is the InChIKey of 4-diethoxyphosphoryl-5-hydroxypentanoic acid?
The InChIKey is WUDRAEVKJSWYCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19O6P/c1-3-14-16(13,15-4-2)8(7-10)5-6-9(11)12/h8,10H,3-7H2,1-2H3,(H,11,12).
What are the key properties of 4-diethoxyphosphoryl-5-hydroxypentanoic acid?
4-diethoxyphosphoryl-5-hydroxypentanoic acid has a molecular weight of 254.22 g/mol, XLogP of 1.48, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-diethoxyphosphoryl-5-hydroxypentanoic acid is sourced from PubChem (CID 175815296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).