bis(oxiran-2-ylmethyl) (2-oxo-1,3-dioxolan-4-yl) phosphate

C9H13O9P — CID 122222421

IUPACbis(oxiran-2-ylmethyl) (2-oxo-1,3-dioxolan-4-yl) phosphate
SMILESO=C1OCC(OP(=O)(OCC2CO2)OCC2CO2)O1
InChIInChI=1S/C9H13O9P/c10-9-14-5-8(17-9)18-19(11,15-3-6-1-12-6)16-4-7-2-13-7/h6-8H,1-5H2
InChIKeyMTEJZVFNPPVLCJ-UHFFFAOYSA-N
MW296.17 g/mol
LogP0.43
Rot. Bonds8

About bis(oxiran-2-ylmethyl) (2-oxo-1,3-dioxolan-4-yl) phosphate

bis(oxiran-2-ylmethyl) (2-oxo-1,3-dioxolan-4-yl) phosphate (PubChem CID 122222421) has the molecular formula C9H13O9P and a molecular weight of 296.17 g/mol. Its IUPAC name is bis(oxiran-2-ylmethyl) (2-oxo-1,3-dioxolan-4-yl) phosphate.

Molecular Properties

Compound Namebis(oxiran-2-ylmethyl) (2-oxo-1,3-dioxolan-4-yl) phosphate
PubChem CID122222421
Molecular FormulaC9H13O9P
Molecular Weight296.17 g/mol
Exact Mass296.03
IUPAC Namebis(oxiran-2-ylmethyl) (2-oxo-1,3-dioxolan-4-yl) phosphate
SMILESO=C1OCC(OP(=O)(OCC2CO2)OCC2CO2)O1
InChIInChI=1S/C9H13O9P/c10-9-14-5-8(17-9)18-19(11,15-3-6-1-12-6)16-4-7-2-13-7/h6-8H,1-5H2
InChIKeyMTEJZVFNPPVLCJ-UHFFFAOYSA-N
XLogP0.43
TPSA105.35 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.17
LogP ≤ 50.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(oxiran-2-ylmethyl) (2-oxo-1,3-dioxolan-4-yl) phosphate?
The IUPAC name of bis(oxiran-2-ylmethyl) (2-oxo-1,3-dioxolan-4-yl) phosphate (CID 122222421) is bis(oxiran-2-ylmethyl) (2-oxo-1,3-dioxolan-4-yl) phosphate.
What is the SMILES notation for bis(oxiran-2-ylmethyl) (2-oxo-1,3-dioxolan-4-yl) phosphate?
The canonical SMILES for bis(oxiran-2-ylmethyl) (2-oxo-1,3-dioxolan-4-yl) phosphate is O=C1OCC(OP(=O)(OCC2CO2)OCC2CO2)O1.
What is the InChIKey of bis(oxiran-2-ylmethyl) (2-oxo-1,3-dioxolan-4-yl) phosphate?
The InChIKey is MTEJZVFNPPVLCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13O9P/c10-9-14-5-8(17-9)18-19(11,15-3-6-1-12-6)16-4-7-2-13-7/h6-8H,1-5H2.
What are the key properties of bis(oxiran-2-ylmethyl) (2-oxo-1,3-dioxolan-4-yl) phosphate?
bis(oxiran-2-ylmethyl) (2-oxo-1,3-dioxolan-4-yl) phosphate has a molecular weight of 296.17 g/mol, XLogP of 0.43, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for bis(oxiran-2-ylmethyl) (2-oxo-1,3-dioxolan-4-yl) phosphate is sourced from PubChem (CID 122222421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).