[(2S,4R)-4-hydroxyoxolan-2-yl]methyl dimethyl phosphate

C7H15O6P — CID 134464300

IUPAC[(2S,4R)-4-hydroxyoxolan-2-yl]methyl dimethyl phosphate
SMILESCOP(=O)(OC)OC[C@@H]1C[C@@H](O)CO1
InChIInChI=1S/C7H15O6P/c1-10-14(9,11-2)13-5-7-3-6(8)4-12-7/h6-8H,3-5H2,1-2H3/t6-,7+/m1/s1
InChIKeyFPPTVYYSQJGOFX-RQJHMYQMSA-N
MW226.16 g/mol
LogP0.55
Rot. Bonds5

About [(2S,4R)-4-hydroxyoxolan-2-yl]methyl dimethyl phosphate

[(2S,4R)-4-hydroxyoxolan-2-yl]methyl dimethyl phosphate (PubChem CID 134464300) has the molecular formula C7H15O6P and a molecular weight of 226.16 g/mol. Its IUPAC name is [(2S,4R)-4-hydroxyoxolan-2-yl]methyl dimethyl phosphate.

Molecular Properties

Compound Name[(2S,4R)-4-hydroxyoxolan-2-yl]methyl dimethyl phosphate
PubChem CID134464300
Molecular FormulaC7H15O6P
Molecular Weight226.16 g/mol
Exact Mass226.06
IUPAC Name[(2S,4R)-4-hydroxyoxolan-2-yl]methyl dimethyl phosphate
SMILESCOP(=O)(OC)OC[C@@H]1C[C@@H](O)CO1
InChIInChI=1S/C7H15O6P/c1-10-14(9,11-2)13-5-7-3-6(8)4-12-7/h6-8H,3-5H2,1-2H3/t6-,7+/m1/s1
InChIKeyFPPTVYYSQJGOFX-RQJHMYQMSA-N
XLogP0.55
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.16
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2S,4R)-4-hydroxyoxolan-2-yl]methyl dimethyl phosphate?
The IUPAC name of [(2S,4R)-4-hydroxyoxolan-2-yl]methyl dimethyl phosphate (CID 134464300) is [(2S,4R)-4-hydroxyoxolan-2-yl]methyl dimethyl phosphate.
What is the SMILES notation for [(2S,4R)-4-hydroxyoxolan-2-yl]methyl dimethyl phosphate?
The canonical SMILES for [(2S,4R)-4-hydroxyoxolan-2-yl]methyl dimethyl phosphate is COP(=O)(OC)OC[C@@H]1C[C@@H](O)CO1.
What is the InChIKey of [(2S,4R)-4-hydroxyoxolan-2-yl]methyl dimethyl phosphate?
The InChIKey is FPPTVYYSQJGOFX-RQJHMYQMSA-N. The full InChI is InChI=1S/C7H15O6P/c1-10-14(9,11-2)13-5-7-3-6(8)4-12-7/h6-8H,3-5H2,1-2H3/t6-,7+/m1/s1.
What are the key properties of [(2S,4R)-4-hydroxyoxolan-2-yl]methyl dimethyl phosphate?
[(2S,4R)-4-hydroxyoxolan-2-yl]methyl dimethyl phosphate has a molecular weight of 226.16 g/mol, XLogP of 0.55, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4R)-4-hydroxyoxolan-2-yl]methyl dimethyl phosphate is sourced from PubChem (CID 134464300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).