[(2R)-2-[di(propan-2-yloxy)phosphorylmethoxy]-3-fluoropropyl] methanesulfonate

C11H24FO7PS — CID 15939024

IUPAC[(2R)-2-[di(propan-2-yloxy)phosphorylmethoxy]-3-fluoropropyl] methanesulfonate
SMILESCC(C)OP(=O)(CO[C@@H](CF)COS(C)(=O)=O)OC(C)C
InChIInChI=1S/C11H24FO7PS/c1-9(2)18-20(13,19-10(3)4)8-16-11(6-12)7-17-21(5,14)15/h9-11H,6-8H2,1-5H3/t11-/m0/s1
InChIKeyCAUOTIJOWPIWGR-NSHDSACASA-N
MW350.35 g/mol
LogP2.32
Rot. Bonds11

About [(2R)-2-[di(propan-2-yloxy)phosphorylmethoxy]-3-fluoropropyl] methanesulfonate

[(2R)-2-[di(propan-2-yloxy)phosphorylmethoxy]-3-fluoropropyl] methanesulfonate (PubChem CID 15939024) has the molecular formula C11H24FO7PS and a molecular weight of 350.35 g/mol. Its IUPAC name is [(2R)-2-[di(propan-2-yloxy)phosphorylmethoxy]-3-fluoropropyl] methanesulfonate.

Molecular Properties

Compound Name[(2R)-2-[di(propan-2-yloxy)phosphorylmethoxy]-3-fluoropropyl] methanesulfonate
PubChem CID15939024
Molecular FormulaC11H24FO7PS
Molecular Weight350.35 g/mol
Exact Mass350.10
IUPAC Name[(2R)-2-[di(propan-2-yloxy)phosphorylmethoxy]-3-fluoropropyl] methanesulfonate
SMILESCC(C)OP(=O)(CO[C@@H](CF)COS(C)(=O)=O)OC(C)C
InChIInChI=1S/C11H24FO7PS/c1-9(2)18-20(13,19-10(3)4)8-16-11(6-12)7-17-21(5,14)15/h9-11H,6-8H2,1-5H3/t11-/m0/s1
InChIKeyCAUOTIJOWPIWGR-NSHDSACASA-N
XLogP2.32
TPSA88.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.35
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(2R)-2-[di(propan-2-yloxy)phosphorylmethoxy]-3-fluoropropyl] methanesulfonate?
The IUPAC name of [(2R)-2-[di(propan-2-yloxy)phosphorylmethoxy]-3-fluoropropyl] methanesulfonate (CID 15939024) is [(2R)-2-[di(propan-2-yloxy)phosphorylmethoxy]-3-fluoropropyl] methanesulfonate.
What is the SMILES notation for [(2R)-2-[di(propan-2-yloxy)phosphorylmethoxy]-3-fluoropropyl] methanesulfonate?
The canonical SMILES for [(2R)-2-[di(propan-2-yloxy)phosphorylmethoxy]-3-fluoropropyl] methanesulfonate is CC(C)OP(=O)(CO[C@@H](CF)COS(C)(=O)=O)OC(C)C.
What is the InChIKey of [(2R)-2-[di(propan-2-yloxy)phosphorylmethoxy]-3-fluoropropyl] methanesulfonate?
The InChIKey is CAUOTIJOWPIWGR-NSHDSACASA-N. The full InChI is InChI=1S/C11H24FO7PS/c1-9(2)18-20(13,19-10(3)4)8-16-11(6-12)7-17-21(5,14)15/h9-11H,6-8H2,1-5H3/t11-/m0/s1.
What are the key properties of [(2R)-2-[di(propan-2-yloxy)phosphorylmethoxy]-3-fluoropropyl] methanesulfonate?
[(2R)-2-[di(propan-2-yloxy)phosphorylmethoxy]-3-fluoropropyl] methanesulfonate has a molecular weight of 350.35 g/mol, XLogP of 2.32, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-[di(propan-2-yloxy)phosphorylmethoxy]-3-fluoropropyl] methanesulfonate is sourced from PubChem (CID 15939024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).