ethyl [(2R,3R)-2-(hydroxymethyl)oxolan-3-yl] hydrogen phosphate

C7H15O6P — CID 130330647

IUPACethyl [(2R,3R)-2-(hydroxymethyl)oxolan-3-yl] hydrogen phosphate
SMILESCCOP(=O)(O)O[C@@H]1CCO[C@@H]1CO
InChIInChI=1S/C7H15O6P/c1-2-12-14(9,10)13-6-3-4-11-7(6)5-8/h6-8H,2-5H2,1H3,(H,9,10)/t6-,7-/m1/s1
InChIKeySXLJOKCIVJFRQC-RNFRBKRXSA-N
MW226.16 g/mol
LogP0.29
Rot. Bonds5

About ethyl [(2R,3R)-2-(hydroxymethyl)oxolan-3-yl] hydrogen phosphate

ethyl [(2R,3R)-2-(hydroxymethyl)oxolan-3-yl] hydrogen phosphate (PubChem CID 130330647) has the molecular formula C7H15O6P and a molecular weight of 226.16 g/mol. Its IUPAC name is ethyl [(2R,3R)-2-(hydroxymethyl)oxolan-3-yl] hydrogen phosphate.

Molecular Properties

Compound Nameethyl [(2R,3R)-2-(hydroxymethyl)oxolan-3-yl] hydrogen phosphate
PubChem CID130330647
Molecular FormulaC7H15O6P
Molecular Weight226.16 g/mol
Exact Mass226.06
IUPAC Nameethyl [(2R,3R)-2-(hydroxymethyl)oxolan-3-yl] hydrogen phosphate
SMILESCCOP(=O)(O)O[C@@H]1CCO[C@@H]1CO
InChIInChI=1S/C7H15O6P/c1-2-12-14(9,10)13-6-3-4-11-7(6)5-8/h6-8H,2-5H2,1H3,(H,9,10)/t6-,7-/m1/s1
InChIKeySXLJOKCIVJFRQC-RNFRBKRXSA-N
XLogP0.29
TPSA85.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.16
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze ethyl [(2R,3R)-2-(hydroxymethyl)oxolan-3-yl] hydrogen phosphate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl [(2R,3R)-2-(hydroxymethyl)oxolan-3-yl] hydrogen phosphate?
The IUPAC name of ethyl [(2R,3R)-2-(hydroxymethyl)oxolan-3-yl] hydrogen phosphate (CID 130330647) is ethyl [(2R,3R)-2-(hydroxymethyl)oxolan-3-yl] hydrogen phosphate.
What is the SMILES notation for ethyl [(2R,3R)-2-(hydroxymethyl)oxolan-3-yl] hydrogen phosphate?
The canonical SMILES for ethyl [(2R,3R)-2-(hydroxymethyl)oxolan-3-yl] hydrogen phosphate is CCOP(=O)(O)O[C@@H]1CCO[C@@H]1CO.
What is the InChIKey of ethyl [(2R,3R)-2-(hydroxymethyl)oxolan-3-yl] hydrogen phosphate?
The InChIKey is SXLJOKCIVJFRQC-RNFRBKRXSA-N. The full InChI is InChI=1S/C7H15O6P/c1-2-12-14(9,10)13-6-3-4-11-7(6)5-8/h6-8H,2-5H2,1H3,(H,9,10)/t6-,7-/m1/s1.
What are the key properties of ethyl [(2R,3R)-2-(hydroxymethyl)oxolan-3-yl] hydrogen phosphate?
ethyl [(2R,3R)-2-(hydroxymethyl)oxolan-3-yl] hydrogen phosphate has a molecular weight of 226.16 g/mol, XLogP of 0.29, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl [(2R,3R)-2-(hydroxymethyl)oxolan-3-yl] hydrogen phosphate is sourced from PubChem (CID 130330647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).