dimethyl (2R,3R,4S,5R)-3,5-diphenyloxolane-2,4-dicarboxylate

C20H20O5 — CID 11836756

IUPACdimethyl (2R,3R,4S,5R)-3,5-diphenyloxolane-2,4-dicarboxylate
SMILESCOC(=O)[C@H]1[C@H](c2ccccc2)[C@H](C(=O)OC)O[C@H]1c1ccccc1
InChIInChI=1S/C20H20O5/c1-23-19(21)16-15(13-9-5-3-6-10-13)18(20(22)24-2)25-17(16)14-11-7-4-8-12-14/h3-12,15-18H,1-2H3/t15-,16-,17-,18+/m0/s1
InChIKeyRHPVUSZOVMSXHU-XLAORIBOSA-N
MW340.38 g/mol
LogP2.87
Rot. Bonds4

About dimethyl (2R,3R,4S,5R)-3,5-diphenyloxolane-2,4-dicarboxylate

dimethyl (2R,3R,4S,5R)-3,5-diphenyloxolane-2,4-dicarboxylate (PubChem CID 11836756) has the molecular formula C20H20O5 and a molecular weight of 340.38 g/mol. Its IUPAC name is dimethyl (2R,3R,4S,5R)-3,5-diphenyloxolane-2,4-dicarboxylate.

Molecular Properties

Compound Namedimethyl (2R,3R,4S,5R)-3,5-diphenyloxolane-2,4-dicarboxylate
PubChem CID11836756
Molecular FormulaC20H20O5
Molecular Weight340.38 g/mol
Exact Mass340.13
IUPAC Namedimethyl (2R,3R,4S,5R)-3,5-diphenyloxolane-2,4-dicarboxylate
SMILESCOC(=O)[C@H]1[C@H](c2ccccc2)[C@H](C(=O)OC)O[C@H]1c1ccccc1
InChIInChI=1S/C20H20O5/c1-23-19(21)16-15(13-9-5-3-6-10-13)18(20(22)24-2)25-17(16)14-11-7-4-8-12-14/h3-12,15-18H,1-2H3/t15-,16-,17-,18+/m0/s1
InChIKeyRHPVUSZOVMSXHU-XLAORIBOSA-N
XLogP2.87
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of dimethyl (2R,3R,4S,5R)-3,5-diphenyloxolane-2,4-dicarboxylate?
The IUPAC name of dimethyl (2R,3R,4S,5R)-3,5-diphenyloxolane-2,4-dicarboxylate (CID 11836756) is dimethyl (2R,3R,4S,5R)-3,5-diphenyloxolane-2,4-dicarboxylate.
What is the SMILES notation for dimethyl (2R,3R,4S,5R)-3,5-diphenyloxolane-2,4-dicarboxylate?
The canonical SMILES for dimethyl (2R,3R,4S,5R)-3,5-diphenyloxolane-2,4-dicarboxylate is COC(=O)[C@H]1[C@H](c2ccccc2)[C@H](C(=O)OC)O[C@H]1c1ccccc1.
What is the InChIKey of dimethyl (2R,3R,4S,5R)-3,5-diphenyloxolane-2,4-dicarboxylate?
The InChIKey is RHPVUSZOVMSXHU-XLAORIBOSA-N. The full InChI is InChI=1S/C20H20O5/c1-23-19(21)16-15(13-9-5-3-6-10-13)18(20(22)24-2)25-17(16)14-11-7-4-8-12-14/h3-12,15-18H,1-2H3/t15-,16-,17-,18+/m0/s1.
What are the key properties of dimethyl (2R,3R,4S,5R)-3,5-diphenyloxolane-2,4-dicarboxylate?
dimethyl (2R,3R,4S,5R)-3,5-diphenyloxolane-2,4-dicarboxylate has a molecular weight of 340.38 g/mol, XLogP of 2.87, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (2R,3R,4S,5R)-3,5-diphenyloxolane-2,4-dicarboxylate is sourced from PubChem (CID 11836756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).