[(2R,3S,4S)-4-fluoro-2-(methoxycarbonyloxymethyl)-5-methylthiolan-3-yl] methyl carbonate

C10H15FO6S — CID 146406668

IUPAC[(2R,3S,4S)-4-fluoro-2-(methoxycarbonyloxymethyl)-5-methylthiolan-3-yl] methyl carbonate
SMILESCOC(=O)OC[C@H]1SC(C)[C@@H](F)[C@@H]1OC(=O)OC
InChIInChI=1S/C10H15FO6S/c1-5-7(11)8(17-10(13)15-3)6(18-5)4-16-9(12)14-2/h5-8H,4H2,1-3H3/t5?,6-,7-,8-/m1/s1
InChIKeyRLWQPYCXTYXTSU-UIYHXYAWSA-N
MW282.29 g/mol
LogP1.76
Rot. Bonds3

About [(2R,3S,4S)-4-fluoro-2-(methoxycarbonyloxymethyl)-5-methylthiolan-3-yl] methyl carbonate

[(2R,3S,4S)-4-fluoro-2-(methoxycarbonyloxymethyl)-5-methylthiolan-3-yl] methyl carbonate (PubChem CID 146406668) has the molecular formula C10H15FO6S and a molecular weight of 282.29 g/mol. Its IUPAC name is [(2R,3S,4S)-4-fluoro-2-(methoxycarbonyloxymethyl)-5-methylthiolan-3-yl] methyl carbonate.

Molecular Properties

Compound Name[(2R,3S,4S)-4-fluoro-2-(methoxycarbonyloxymethyl)-5-methylthiolan-3-yl] methyl carbonate
PubChem CID146406668
Molecular FormulaC10H15FO6S
Molecular Weight282.29 g/mol
Exact Mass282.06
IUPAC Name[(2R,3S,4S)-4-fluoro-2-(methoxycarbonyloxymethyl)-5-methylthiolan-3-yl] methyl carbonate
SMILESCOC(=O)OC[C@H]1SC(C)[C@@H](F)[C@@H]1OC(=O)OC
InChIInChI=1S/C10H15FO6S/c1-5-7(11)8(17-10(13)15-3)6(18-5)4-16-9(12)14-2/h5-8H,4H2,1-3H3/t5?,6-,7-,8-/m1/s1
InChIKeyRLWQPYCXTYXTSU-UIYHXYAWSA-N
XLogP1.76
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.29
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [(2R,3S,4S)-4-fluoro-2-(methoxycarbonyloxymethyl)-5-methylthiolan-3-yl] methyl carbonate?
The IUPAC name of [(2R,3S,4S)-4-fluoro-2-(methoxycarbonyloxymethyl)-5-methylthiolan-3-yl] methyl carbonate (CID 146406668) is [(2R,3S,4S)-4-fluoro-2-(methoxycarbonyloxymethyl)-5-methylthiolan-3-yl] methyl carbonate.
What is the SMILES notation for [(2R,3S,4S)-4-fluoro-2-(methoxycarbonyloxymethyl)-5-methylthiolan-3-yl] methyl carbonate?
The canonical SMILES for [(2R,3S,4S)-4-fluoro-2-(methoxycarbonyloxymethyl)-5-methylthiolan-3-yl] methyl carbonate is COC(=O)OC[C@H]1SC(C)[C@@H](F)[C@@H]1OC(=O)OC.
What is the InChIKey of [(2R,3S,4S)-4-fluoro-2-(methoxycarbonyloxymethyl)-5-methylthiolan-3-yl] methyl carbonate?
The InChIKey is RLWQPYCXTYXTSU-UIYHXYAWSA-N. The full InChI is InChI=1S/C10H15FO6S/c1-5-7(11)8(17-10(13)15-3)6(18-5)4-16-9(12)14-2/h5-8H,4H2,1-3H3/t5?,6-,7-,8-/m1/s1.
What are the key properties of [(2R,3S,4S)-4-fluoro-2-(methoxycarbonyloxymethyl)-5-methylthiolan-3-yl] methyl carbonate?
[(2R,3S,4S)-4-fluoro-2-(methoxycarbonyloxymethyl)-5-methylthiolan-3-yl] methyl carbonate has a molecular weight of 282.29 g/mol, XLogP of 1.76, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,4S)-4-fluoro-2-(methoxycarbonyloxymethyl)-5-methylthiolan-3-yl] methyl carbonate is sourced from PubChem (CID 146406668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).