2-hydroxyethyl 3-[2-hydroxyethoxy(methyl)phosphoryl]propanoate

C8H17O6P — CID 11424970

IUPAC2-hydroxyethyl 3-[2-hydroxyethoxy(methyl)phosphoryl]propanoate
SMILESCP(=O)(CCC(=O)OCCO)OCCO
InChIInChI=1S/C8H17O6P/c1-15(12,14-6-4-10)7-2-8(11)13-5-3-9/h9-10H,2-7H2,1H3
InChIKeyFIJVNCLTSDTHSH-UHFFFAOYSA-N
MW240.19 g/mol
LogP-0.17
Rot. Bonds8

About 2-hydroxyethyl 3-[2-hydroxyethoxy(methyl)phosphoryl]propanoate

2-hydroxyethyl 3-[2-hydroxyethoxy(methyl)phosphoryl]propanoate (PubChem CID 11424970) has the molecular formula C8H17O6P and a molecular weight of 240.19 g/mol. Its IUPAC name is 2-hydroxyethyl 3-[2-hydroxyethoxy(methyl)phosphoryl]propanoate.

Molecular Properties

Compound Name2-hydroxyethyl 3-[2-hydroxyethoxy(methyl)phosphoryl]propanoate
PubChem CID11424970
Molecular FormulaC8H17O6P
Molecular Weight240.19 g/mol
Exact Mass240.08
IUPAC Name2-hydroxyethyl 3-[2-hydroxyethoxy(methyl)phosphoryl]propanoate
SMILESCP(=O)(CCC(=O)OCCO)OCCO
InChIInChI=1S/C8H17O6P/c1-15(12,14-6-4-10)7-2-8(11)13-5-3-9/h9-10H,2-7H2,1H3
InChIKeyFIJVNCLTSDTHSH-UHFFFAOYSA-N
XLogP-0.17
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.19
LogP ≤ 5-0.17
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

4-O-(2-hydroxyethyl) 1-O-propyl butanedioate
CID 87981334
propyl 3-dimethylphosphorylpropanoate
CID 175015026
2-hydroxyethyl 3-aminopropanoate
CID 22321350
bis(2-hydroxyethyl) heptanedioate
CID 58519890
bis(2-hydroxyethyl) decanedioate
CID 14094566
ethyl 3-[methoxy(methyl)phosphoryl]propanoate
CID 11019721
1-O-(2-hydroxyethyl) 4-O-iodo butanedioate
CID 126722615
2-hydroxyethyl 3-(dimethylamino)propanoate
CID 20769160
ethene;2-hydroxyethyl hexadecanoate
CID 87221064
(3-oxo-3-propoxypropyl)phosphonic acid
CID 87358986
1-O-butyl 6-O-(2-hydroxyethyl) hexanedioate
CID 87069047
methyl 3-[methyl(2-methylpropoxy)phosphoryl]propanoate
CID 11862228

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl 3-[2-hydroxyethoxy(methyl)phosphoryl]propanoate?
The IUPAC name of 2-hydroxyethyl 3-[2-hydroxyethoxy(methyl)phosphoryl]propanoate (CID 11424970) is 2-hydroxyethyl 3-[2-hydroxyethoxy(methyl)phosphoryl]propanoate.
What is the SMILES notation for 2-hydroxyethyl 3-[2-hydroxyethoxy(methyl)phosphoryl]propanoate?
The canonical SMILES for 2-hydroxyethyl 3-[2-hydroxyethoxy(methyl)phosphoryl]propanoate is CP(=O)(CCC(=O)OCCO)OCCO.
What is the InChIKey of 2-hydroxyethyl 3-[2-hydroxyethoxy(methyl)phosphoryl]propanoate?
The InChIKey is FIJVNCLTSDTHSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17O6P/c1-15(12,14-6-4-10)7-2-8(11)13-5-3-9/h9-10H,2-7H2,1H3.
What are the key properties of 2-hydroxyethyl 3-[2-hydroxyethoxy(methyl)phosphoryl]propanoate?
2-hydroxyethyl 3-[2-hydroxyethoxy(methyl)phosphoryl]propanoate has a molecular weight of 240.19 g/mol, XLogP of -0.17, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl 3-[2-hydroxyethoxy(methyl)phosphoryl]propanoate is sourced from PubChem (CID 11424970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).