[2-ethoxy-1-[hydroxy(propoxy)phosphoryl]-2-oxoethyl]-propoxyphosphinic acid

C10H22O8P2 — CID 87375656

IUPAC[2-ethoxy-1-[hydroxy(propoxy)phosphoryl]-2-oxoethyl]-propoxyphosphinic acid
SMILESCCCOP(=O)(O)C(C(=O)OCC)P(=O)(O)OCCC
InChIInChI=1S/C10H22O8P2/c1-4-7-17-19(12,13)10(9(11)16-6-3)20(14,15)18-8-5-2/h10H,4-8H2,1-3H3,(H,12,13)(H,14,15)
InChIKeyCVNAQAAPWXHTSG-UHFFFAOYSA-N
MW332.23 g/mol
LogP2.10
Rot. Bonds10

About [2-ethoxy-1-[hydroxy(propoxy)phosphoryl]-2-oxoethyl]-propoxyphosphinic acid

[2-ethoxy-1-[hydroxy(propoxy)phosphoryl]-2-oxoethyl]-propoxyphosphinic acid (PubChem CID 87375656) has the molecular formula C10H22O8P2 and a molecular weight of 332.23 g/mol. Its IUPAC name is [2-ethoxy-1-[hydroxy(propoxy)phosphoryl]-2-oxoethyl]-propoxyphosphinic acid.

Molecular Properties

Compound Name[2-ethoxy-1-[hydroxy(propoxy)phosphoryl]-2-oxoethyl]-propoxyphosphinic acid
PubChem CID87375656
Molecular FormulaC10H22O8P2
Molecular Weight332.23 g/mol
Exact Mass332.08
IUPAC Name[2-ethoxy-1-[hydroxy(propoxy)phosphoryl]-2-oxoethyl]-propoxyphosphinic acid
SMILESCCCOP(=O)(O)C(C(=O)OCC)P(=O)(O)OCCC
InChIInChI=1S/C10H22O8P2/c1-4-7-17-19(12,13)10(9(11)16-6-3)20(14,15)18-8-5-2/h10H,4-8H2,1-3H3,(H,12,13)(H,14,15)
InChIKeyCVNAQAAPWXHTSG-UHFFFAOYSA-N
XLogP2.10
TPSA119.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.23
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-aminopropyl(propoxy)phosphinic acid;butane
CID 88813664
propyl dihydrogen phosphate;urea
CID 88818408
2-aminoethoxy(1-aminopentyl)phosphinic acid
CID 174932850
propyl phosphate;bis(tetramethylphosphanium)
CID 87474534
ethyl (2S)-2-diethoxyphosphoryl-3-oxobutanoate
CID 98182463
ethyl (2R)-2-diethoxyphosphorylpentanoate
CID 6992997
ethyl 3-diethoxyphosphoryl-2-hydroxybutanoate
CID 23420452
ethyl 2-diethoxyphosphoryl-5-fluoropentanoate
CID 86678426
1-O-ethyl 2-O-propyl oxalate
CID 6420312
dipotassium;ethyl acetate;hydrogen phosphate
CID 174841832
[amino(hydroxy)methyl]-ethoxyphosphinic acid
CID 174477551
ethyl (2S)-2-diethoxyphosphoryl-2-(3-methylphenyl)acetate
CID 125466808

Frequently Asked Questions

What is the IUPAC name of [2-ethoxy-1-[hydroxy(propoxy)phosphoryl]-2-oxoethyl]-propoxyphosphinic acid?
The IUPAC name of [2-ethoxy-1-[hydroxy(propoxy)phosphoryl]-2-oxoethyl]-propoxyphosphinic acid (CID 87375656) is [2-ethoxy-1-[hydroxy(propoxy)phosphoryl]-2-oxoethyl]-propoxyphosphinic acid.
What is the SMILES notation for [2-ethoxy-1-[hydroxy(propoxy)phosphoryl]-2-oxoethyl]-propoxyphosphinic acid?
The canonical SMILES for [2-ethoxy-1-[hydroxy(propoxy)phosphoryl]-2-oxoethyl]-propoxyphosphinic acid is CCCOP(=O)(O)C(C(=O)OCC)P(=O)(O)OCCC.
What is the InChIKey of [2-ethoxy-1-[hydroxy(propoxy)phosphoryl]-2-oxoethyl]-propoxyphosphinic acid?
The InChIKey is CVNAQAAPWXHTSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O8P2/c1-4-7-17-19(12,13)10(9(11)16-6-3)20(14,15)18-8-5-2/h10H,4-8H2,1-3H3,(H,12,13)(H,14,15).
What are the key properties of [2-ethoxy-1-[hydroxy(propoxy)phosphoryl]-2-oxoethyl]-propoxyphosphinic acid?
[2-ethoxy-1-[hydroxy(propoxy)phosphoryl]-2-oxoethyl]-propoxyphosphinic acid has a molecular weight of 332.23 g/mol, XLogP of 2.10, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-ethoxy-1-[hydroxy(propoxy)phosphoryl]-2-oxoethyl]-propoxyphosphinic acid is sourced from PubChem (CID 87375656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).