2-[hydroxy(2-hydroxyethoxy)phosphoryl]ethylphosphonic acid

C4H12O7P2 — CID 175439320

IUPAC2-[hydroxy(2-hydroxyethoxy)phosphoryl]ethylphosphonic acid
SMILESO=P(O)(O)CCP(=O)(O)OCCO
InChIInChI=1S/C4H12O7P2/c5-1-2-11-13(9,10)4-3-12(6,7)8/h5H,1-4H2,(H,9,10)(H2,6,7,8)
InChIKeyBTFXTTMORSGCEG-UHFFFAOYSA-N
MW234.08 g/mol
LogP-0.64
Rot. Bonds6

About 2-[hydroxy(2-hydroxyethoxy)phosphoryl]ethylphosphonic acid

2-[hydroxy(2-hydroxyethoxy)phosphoryl]ethylphosphonic acid (PubChem CID 175439320) has the molecular formula C4H12O7P2 and a molecular weight of 234.08 g/mol. Its IUPAC name is 2-[hydroxy(2-hydroxyethoxy)phosphoryl]ethylphosphonic acid.

Molecular Properties

Compound Name2-[hydroxy(2-hydroxyethoxy)phosphoryl]ethylphosphonic acid
PubChem CID175439320
Molecular FormulaC4H12O7P2
Molecular Weight234.08 g/mol
Exact Mass234.01
IUPAC Name2-[hydroxy(2-hydroxyethoxy)phosphoryl]ethylphosphonic acid
SMILESO=P(O)(O)CCP(=O)(O)OCCO
InChIInChI=1S/C4H12O7P2/c5-1-2-11-13(9,10)4-3-12(6,7)8/h5H,1-4H2,(H,9,10)(H2,6,7,8)
InChIKeyBTFXTTMORSGCEG-UHFFFAOYSA-N
XLogP-0.64
TPSA124.29 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.08
LogP ≤ 5-0.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxyethyl dihydrogen phosphate;phosphoric acid
CID 155226574
dicalcium;hydride;2-hydroxyethyl dihydrogen phosphate
CID 174231614
ethene;2-hydroxyethyl dihydrogen phosphate
CID 173023199
2-hydroxyethoxy-N-methylphosphonamidic acid
CID 123741981
tetrapotassium;hydride;2-hydroxyethylphosphonic acid
CID 175031872
aminomethyl(3-hydroxypropoxy)phosphinic acid
CID 154247476
dichloronickel;2-hydroxyethyl dihydrogen phosphate;trichloroyttrium
CID 174854669
2-[tert-butyl(2-hydroxyethyl)phosphoryl]oxyethanol
CID 88881831
2-nitrooxyethylphosphonic acid
CID 174730506
heptoxy(octadecyl)phosphinic acid
CID 139947141
butyl(hexoxy)phosphinic acid
CID 15271220
butyl(decoxy)phosphinic acid
CID 139947140

Frequently Asked Questions

What is the IUPAC name of 2-[hydroxy(2-hydroxyethoxy)phosphoryl]ethylphosphonic acid?
The IUPAC name of 2-[hydroxy(2-hydroxyethoxy)phosphoryl]ethylphosphonic acid (CID 175439320) is 2-[hydroxy(2-hydroxyethoxy)phosphoryl]ethylphosphonic acid.
What is the SMILES notation for 2-[hydroxy(2-hydroxyethoxy)phosphoryl]ethylphosphonic acid?
The canonical SMILES for 2-[hydroxy(2-hydroxyethoxy)phosphoryl]ethylphosphonic acid is O=P(O)(O)CCP(=O)(O)OCCO.
What is the InChIKey of 2-[hydroxy(2-hydroxyethoxy)phosphoryl]ethylphosphonic acid?
The InChIKey is BTFXTTMORSGCEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12O7P2/c5-1-2-11-13(9,10)4-3-12(6,7)8/h5H,1-4H2,(H,9,10)(H2,6,7,8).
What are the key properties of 2-[hydroxy(2-hydroxyethoxy)phosphoryl]ethylphosphonic acid?
2-[hydroxy(2-hydroxyethoxy)phosphoryl]ethylphosphonic acid has a molecular weight of 234.08 g/mol, XLogP of -0.64, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[hydroxy(2-hydroxyethoxy)phosphoryl]ethylphosphonic acid is sourced from PubChem (CID 175439320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).