[(2R,3S,5R)-5-hydroxy-3-methoxycarbonyloxy-4,4-dimethyloxolan-2-yl]methyl methyl carbonate

C11H18O8 — CID 170293492

IUPAC[(2R,3S,5R)-5-hydroxy-3-methoxycarbonyloxy-4,4-dimethyloxolan-2-yl]methyl methyl carbonate
SMILESCOC(=O)OC[C@H]1O[C@@H](O)C(C)(C)[C@@H]1OC(=O)OC
InChIInChI=1S/C11H18O8/c1-11(2)7(19-10(14)16-4)6(18-8(11)12)5-17-9(13)15-3/h6-8,12H,5H2,1-4H3/t6-,7-,8-/m1/s1
InChIKeyGCMWXXYUFOXEQD-BWZBUEFSSA-N
MW278.26 g/mol
LogP0.66
Rot. Bonds3

About [(2R,3S,5R)-5-hydroxy-3-methoxycarbonyloxy-4,4-dimethyloxolan-2-yl]methyl methyl carbonate

[(2R,3S,5R)-5-hydroxy-3-methoxycarbonyloxy-4,4-dimethyloxolan-2-yl]methyl methyl carbonate (PubChem CID 170293492) has the molecular formula C11H18O8 and a molecular weight of 278.26 g/mol. Its IUPAC name is [(2R,3S,5R)-5-hydroxy-3-methoxycarbonyloxy-4,4-dimethyloxolan-2-yl]methyl methyl carbonate.

Molecular Properties

Compound Name[(2R,3S,5R)-5-hydroxy-3-methoxycarbonyloxy-4,4-dimethyloxolan-2-yl]methyl methyl carbonate
PubChem CID170293492
Molecular FormulaC11H18O8
Molecular Weight278.26 g/mol
Exact Mass278.10
IUPAC Name[(2R,3S,5R)-5-hydroxy-3-methoxycarbonyloxy-4,4-dimethyloxolan-2-yl]methyl methyl carbonate
SMILESCOC(=O)OC[C@H]1O[C@@H](O)C(C)(C)[C@@H]1OC(=O)OC
InChIInChI=1S/C11H18O8/c1-11(2)7(19-10(14)16-4)6(18-8(11)12)5-17-9(13)15-3/h6-8,12H,5H2,1-4H3/t6-,7-,8-/m1/s1
InChIKeyGCMWXXYUFOXEQD-BWZBUEFSSA-N
XLogP0.66
TPSA100.52 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.26
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [(2R,3S,5R)-5-hydroxy-3-methoxycarbonyloxy-4,4-dimethyloxolan-2-yl]methyl methyl carbonate?
The IUPAC name of [(2R,3S,5R)-5-hydroxy-3-methoxycarbonyloxy-4,4-dimethyloxolan-2-yl]methyl methyl carbonate (CID 170293492) is [(2R,3S,5R)-5-hydroxy-3-methoxycarbonyloxy-4,4-dimethyloxolan-2-yl]methyl methyl carbonate.
What is the SMILES notation for [(2R,3S,5R)-5-hydroxy-3-methoxycarbonyloxy-4,4-dimethyloxolan-2-yl]methyl methyl carbonate?
The canonical SMILES for [(2R,3S,5R)-5-hydroxy-3-methoxycarbonyloxy-4,4-dimethyloxolan-2-yl]methyl methyl carbonate is COC(=O)OC[C@H]1O[C@@H](O)C(C)(C)[C@@H]1OC(=O)OC.
What is the InChIKey of [(2R,3S,5R)-5-hydroxy-3-methoxycarbonyloxy-4,4-dimethyloxolan-2-yl]methyl methyl carbonate?
The InChIKey is GCMWXXYUFOXEQD-BWZBUEFSSA-N. The full InChI is InChI=1S/C11H18O8/c1-11(2)7(19-10(14)16-4)6(18-8(11)12)5-17-9(13)15-3/h6-8,12H,5H2,1-4H3/t6-,7-,8-/m1/s1.
What are the key properties of [(2R,3S,5R)-5-hydroxy-3-methoxycarbonyloxy-4,4-dimethyloxolan-2-yl]methyl methyl carbonate?
[(2R,3S,5R)-5-hydroxy-3-methoxycarbonyloxy-4,4-dimethyloxolan-2-yl]methyl methyl carbonate has a molecular weight of 278.26 g/mol, XLogP of 0.66, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,5R)-5-hydroxy-3-methoxycarbonyloxy-4,4-dimethyloxolan-2-yl]methyl methyl carbonate is sourced from PubChem (CID 170293492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).