methyl (3R)-3-hydroxy-3-[(2S,3S,4R,5R)-3-hydroxy-4-methoxy-5-phenyloxolan-2-yl]propanoate

C15H20O6 — CID 102307844

IUPACmethyl (3R)-3-hydroxy-3-[(2S,3S,4R,5R)-3-hydroxy-4-methoxy-5-phenyloxolan-2-yl]propanoate
SMILESCOC(=O)C[C@@H](O)[C@@H]1O[C@H](c2ccccc2)[C@H](OC)[C@@H]1O
InChIInChI=1S/C15H20O6/c1-19-11(17)8-10(16)14-12(18)15(20-2)13(21-14)9-6-4-3-5-7-9/h3-7,10,12-16,18H,8H2,1-2H3/t10-,12-,13-,14+,15-/m1/s1
InChIKeyIVXPECRIPRGYGC-DVLUHMITSA-N
MW296.32 g/mol
LogP0.43
Rot. Bonds5

About methyl (3R)-3-hydroxy-3-[(2S,3S,4R,5R)-3-hydroxy-4-methoxy-5-phenyloxolan-2-yl]propanoate

methyl (3R)-3-hydroxy-3-[(2S,3S,4R,5R)-3-hydroxy-4-methoxy-5-phenyloxolan-2-yl]propanoate (PubChem CID 102307844) has the molecular formula C15H20O6 and a molecular weight of 296.32 g/mol. Its IUPAC name is methyl (3R)-3-hydroxy-3-[(2S,3S,4R,5R)-3-hydroxy-4-methoxy-5-phenyloxolan-2-yl]propanoate.

Molecular Properties

Compound Namemethyl (3R)-3-hydroxy-3-[(2S,3S,4R,5R)-3-hydroxy-4-methoxy-5-phenyloxolan-2-yl]propanoate
PubChem CID102307844
Molecular FormulaC15H20O6
Molecular Weight296.32 g/mol
Exact Mass296.13
IUPAC Namemethyl (3R)-3-hydroxy-3-[(2S,3S,4R,5R)-3-hydroxy-4-methoxy-5-phenyloxolan-2-yl]propanoate
SMILESCOC(=O)C[C@@H](O)[C@@H]1O[C@H](c2ccccc2)[C@H](OC)[C@@H]1O
InChIInChI=1S/C15H20O6/c1-19-11(17)8-10(16)14-12(18)15(20-2)13(21-14)9-6-4-3-5-7-9/h3-7,10,12-16,18H,8H2,1-2H3/t10-,12-,13-,14+,15-/m1/s1
InChIKeyIVXPECRIPRGYGC-DVLUHMITSA-N
XLogP0.43
TPSA85.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl (3R)-3-hydroxy-3-[(2S,3S,4R,5R)-3-hydroxy-4-methoxy-5-phenyloxolan-2-yl]propanoate?
The IUPAC name of methyl (3R)-3-hydroxy-3-[(2S,3S,4R,5R)-3-hydroxy-4-methoxy-5-phenyloxolan-2-yl]propanoate (CID 102307844) is methyl (3R)-3-hydroxy-3-[(2S,3S,4R,5R)-3-hydroxy-4-methoxy-5-phenyloxolan-2-yl]propanoate.
What is the SMILES notation for methyl (3R)-3-hydroxy-3-[(2S,3S,4R,5R)-3-hydroxy-4-methoxy-5-phenyloxolan-2-yl]propanoate?
The canonical SMILES for methyl (3R)-3-hydroxy-3-[(2S,3S,4R,5R)-3-hydroxy-4-methoxy-5-phenyloxolan-2-yl]propanoate is COC(=O)C[C@@H](O)[C@@H]1O[C@H](c2ccccc2)[C@H](OC)[C@@H]1O.
What is the InChIKey of methyl (3R)-3-hydroxy-3-[(2S,3S,4R,5R)-3-hydroxy-4-methoxy-5-phenyloxolan-2-yl]propanoate?
The InChIKey is IVXPECRIPRGYGC-DVLUHMITSA-N. The full InChI is InChI=1S/C15H20O6/c1-19-11(17)8-10(16)14-12(18)15(20-2)13(21-14)9-6-4-3-5-7-9/h3-7,10,12-16,18H,8H2,1-2H3/t10-,12-,13-,14+,15-/m1/s1.
What are the key properties of methyl (3R)-3-hydroxy-3-[(2S,3S,4R,5R)-3-hydroxy-4-methoxy-5-phenyloxolan-2-yl]propanoate?
methyl (3R)-3-hydroxy-3-[(2S,3S,4R,5R)-3-hydroxy-4-methoxy-5-phenyloxolan-2-yl]propanoate has a molecular weight of 296.32 g/mol, XLogP of 0.43, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R)-3-hydroxy-3-[(2S,3S,4R,5R)-3-hydroxy-4-methoxy-5-phenyloxolan-2-yl]propanoate is sourced from PubChem (CID 102307844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).