methyl (3R)-3-[(2R,3S,4S,5R)-3,4-dihydroxy-5-phenyloxolan-2-yl]-3-methoxypropanoate

C15H20O6 — CID 101168367

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

About methyl (3R)-3-[(2R,3S,4S,5R)-3,4-dihydroxy-5-phenyloxolan-2-yl]-3-methoxypropanoate

methyl (3R)-3-[(2R,3S,4S,5R)-3,4-dihydroxy-5-phenyloxolan-2-yl]-3-methoxypropanoate (PubChem CID 101168367) has the molecular formula C15H20O6 and a molecular weight of 296.32 g/mol. Its IUPAC name is methyl (3R)-3-[(2R,3S,4S,5R)-3,4-dihydroxy-5-phenyloxolan-2-yl]-3-methoxypropanoate.

Molecular Properties

Compound Namemethyl (3R)-3-[(2R,3S,4S,5R)-3,4-dihydroxy-5-phenyloxolan-2-yl]-3-methoxypropanoate
PubChem CID101168367
Molecular FormulaC15H20O6
Molecular Weight296.32 g/mol
Exact Mass296.13
IUPAC Namemethyl (3R)-3-[(2R,3S,4S,5R)-3,4-dihydroxy-5-phenyloxolan-2-yl]-3-methoxypropanoate
SMILESCOC(=O)C[C@@H](OC)[C@@H]1O[C@H](c2ccccc2)[C@@H](O)[C@@H]1O
InChIInChI=1S/C15H20O6/c1-19-10(8-11(16)20-2)15-13(18)12(17)14(21-15)9-6-4-3-5-7-9/h3-7,10,12-15,17-18H,8H2,1-2H3/t10-,12+,13+,14-,15+/m1/s1
InChIKeyVULLYOJYGGIAGN-NZNQWUEYSA-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

Analyze methyl (3R)-3-[(2R,3S,4S,5R)-3,4-dihydroxy-5-phenyloxolan-2-yl]-3-methoxypropanoate with MolForge

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Related Compounds

methyl (3R)-3-hydroxy-3-[(2S,3S,4R,5R)-3-hydroxy-4-methoxy-5-phenyloxolan-2-yl]propanoate
CID 102307844
methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(4S,5R)-2,2-dimethyl-5-phenyl-1,3-dioxolan-4-yl]propanoate
CID 72714260
methyl 3-benzoyl-4-oxo-4-phenylbutanoate
CID 10979354
dimethyl (3R,4R)-3,4-diphenylhexanedioate
CID 10969442
(3S)-5-methoxy-5-oxo-3-phenylpentanoic acid
CID 71352827
methyl 2-[[(2R)-3-phenyloxiran-2-yl]methylsulfanyl]acetate
CID 88622037
methyl 2-[[(2S,3S)-3-phenyloxiran-2-yl]methylsulfanyl]acetate
CID 15926581
(2S,4R,5R)-2-methyl-5-phenyloxolane-3,4-diol
CID 88976580
methyl (2S)-2-hydroxy-2-[(4R,5R)-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]acetate
CID 165345559
(3R)-N-methyl-3-phenyl-3-[(2S,3S)-3-phenyloxiran-2-yl]propanamide
CID 71653947
methyl (3R)-4-amino-3-phenylbutanoate
CID 13314421
methyl 3-cyclopropyl-3-methoxypropanoate
CID 10313241

Frequently Asked Questions

What is the IUPAC name of methyl (3R)-3-[(2R,3S,4S,5R)-3,4-dihydroxy-5-phenyloxolan-2-yl]-3-methoxypropanoate?
The IUPAC name of methyl (3R)-3-[(2R,3S,4S,5R)-3,4-dihydroxy-5-phenyloxolan-2-yl]-3-methoxypropanoate (CID 101168367) is methyl (3R)-3-[(2R,3S,4S,5R)-3,4-dihydroxy-5-phenyloxolan-2-yl]-3-methoxypropanoate.
What is the SMILES notation for methyl (3R)-3-[(2R,3S,4S,5R)-3,4-dihydroxy-5-phenyloxolan-2-yl]-3-methoxypropanoate?
The canonical SMILES for methyl (3R)-3-[(2R,3S,4S,5R)-3,4-dihydroxy-5-phenyloxolan-2-yl]-3-methoxypropanoate is COC(=O)C[C@@H](OC)[C@@H]1O[C@H](c2ccccc2)[C@@H](O)[C@@H]1O.
What is the InChIKey of methyl (3R)-3-[(2R,3S,4S,5R)-3,4-dihydroxy-5-phenyloxolan-2-yl]-3-methoxypropanoate?
The InChIKey is VULLYOJYGGIAGN-NZNQWUEYSA-N. The full InChI is InChI=1S/C15H20O6/c1-19-10(8-11(16)20-2)15-13(18)12(17)14(21-15)9-6-4-3-5-7-9/h3-7,10,12-15,17-18H,8H2,1-2H3/t10-,12+,13+,14-,15+/m1/s1.
What are the key properties of methyl (3R)-3-[(2R,3S,4S,5R)-3,4-dihydroxy-5-phenyloxolan-2-yl]-3-methoxypropanoate?
methyl (3R)-3-[(2R,3S,4S,5R)-3,4-dihydroxy-5-phenyloxolan-2-yl]-3-methoxypropanoate 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-[(2R,3S,4S,5R)-3,4-dihydroxy-5-phenyloxolan-2-yl]-3-methoxypropanoate is sourced from PubChem (CID 101168367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).