[(2R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-ethoxy-2-fluoro-2-methyl-3-oxopropyl] sulfate

C11H18FO8S- — CID 59227132

IUPAC[(2R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-ethoxy-2-fluoro-2-methyl-3-oxopropyl] sulfate
SMILESCCOC(=O)[C@](C)(F)C(OS(=O)(=O)[O-])[C@H]1COC(C)(C)O1
InChIInChI=1S/C11H19FO8S/c1-5-17-9(13)11(4,12)8(20-21(14,15)16)7-6-18-10(2,3)19-7/h7-8H,5-6H2,1-4H3,(H,14,15,16)/p-1/t7-,8?,11-/m1/s1
InChIKeyXRFULEACXKRTDI-RBTFRQDQSA-M
MW329.32 g/mol
LogP0.27
Rot. Bonds6

About [(2R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-ethoxy-2-fluoro-2-methyl-3-oxopropyl] sulfate

[(2R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-ethoxy-2-fluoro-2-methyl-3-oxopropyl] sulfate (PubChem CID 59227132) has the molecular formula C11H18FO8S- and a molecular weight of 329.32 g/mol. Its IUPAC name is [(2R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-ethoxy-2-fluoro-2-methyl-3-oxopropyl] sulfate.

Molecular Properties

Compound Name[(2R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-ethoxy-2-fluoro-2-methyl-3-oxopropyl] sulfate
PubChem CID59227132
Molecular FormulaC11H18FO8S-
Molecular Weight329.32 g/mol
Exact Mass329.07
IUPAC Name[(2R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-ethoxy-2-fluoro-2-methyl-3-oxopropyl] sulfate
SMILESCCOC(=O)[C@](C)(F)C(OS(=O)(=O)[O-])[C@H]1COC(C)(C)O1
InChIInChI=1S/C11H19FO8S/c1-5-17-9(13)11(4,12)8(20-21(14,15)16)7-6-18-10(2,3)19-7/h7-8H,5-6H2,1-4H3,(H,14,15,16)/p-1/t7-,8?,11-/m1/s1
InChIKeyXRFULEACXKRTDI-RBTFRQDQSA-M
XLogP0.27
TPSA111.19 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.32
LogP ≤ 50.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'sulphate', 'substructure': 'N/A'}

Analyze [(2R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-ethoxy-2-fluoro-2-methyl-3-oxopropyl] sulfate 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 [(2R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-ethoxy-2-fluoro-2-methyl-3-oxopropyl] sulfate?
The IUPAC name of [(2R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-ethoxy-2-fluoro-2-methyl-3-oxopropyl] sulfate (CID 59227132) is [(2R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-ethoxy-2-fluoro-2-methyl-3-oxopropyl] sulfate.
What is the SMILES notation for [(2R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-ethoxy-2-fluoro-2-methyl-3-oxopropyl] sulfate?
The canonical SMILES for [(2R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-ethoxy-2-fluoro-2-methyl-3-oxopropyl] sulfate is CCOC(=O)[C@](C)(F)C(OS(=O)(=O)[O-])[C@H]1COC(C)(C)O1.
What is the InChIKey of [(2R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-ethoxy-2-fluoro-2-methyl-3-oxopropyl] sulfate?
The InChIKey is XRFULEACXKRTDI-RBTFRQDQSA-M. The full InChI is InChI=1S/C11H19FO8S/c1-5-17-9(13)11(4,12)8(20-21(14,15)16)7-6-18-10(2,3)19-7/h7-8H,5-6H2,1-4H3,(H,14,15,16)/p-1/t7-,8?,11-/m1/s1.
What are the key properties of [(2R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-ethoxy-2-fluoro-2-methyl-3-oxopropyl] sulfate?
[(2R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-ethoxy-2-fluoro-2-methyl-3-oxopropyl] sulfate has a molecular weight of 329.32 g/mol, XLogP of 0.27, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-ethoxy-2-fluoro-2-methyl-3-oxopropyl] sulfate is sourced from PubChem (CID 59227132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).