methyl 3-(3,4-dihydroxy-5-phenyloxolan-2-yl)-3-hydroxypropanoate

C14H18O6 — CID 45360157

IUPACmethyl 3-(3,4-dihydroxy-5-phenyloxolan-2-yl)-3-hydroxypropanoate
SMILESCOC(=O)CC(O)C1OC(c2ccccc2)C(O)C1O
InChIInChI=1S/C14H18O6/c1-19-10(16)7-9(15)14-12(18)11(17)13(20-14)8-5-3-2-4-6-8/h2-6,9,11-15,17-18H,7H2,1H3
InChIKeyYCKKAXDZPAQYOF-UHFFFAOYSA-N
MW282.29 g/mol
LogP-0.23
Rot. Bonds4

About methyl 3-(3,4-dihydroxy-5-phenyloxolan-2-yl)-3-hydroxypropanoate

methyl 3-(3,4-dihydroxy-5-phenyloxolan-2-yl)-3-hydroxypropanoate (PubChem CID 45360157) has the molecular formula C14H18O6 and a molecular weight of 282.29 g/mol. Its IUPAC name is methyl 3-(3,4-dihydroxy-5-phenyloxolan-2-yl)-3-hydroxypropanoate.

Molecular Properties

Compound Namemethyl 3-(3,4-dihydroxy-5-phenyloxolan-2-yl)-3-hydroxypropanoate
PubChem CID45360157
Molecular FormulaC14H18O6
Molecular Weight282.29 g/mol
Exact Mass282.11
IUPAC Namemethyl 3-(3,4-dihydroxy-5-phenyloxolan-2-yl)-3-hydroxypropanoate
SMILESCOC(=O)CC(O)C1OC(c2ccccc2)C(O)C1O
InChIInChI=1S/C14H18O6/c1-19-10(16)7-9(15)14-12(18)11(17)13(20-14)8-5-3-2-4-6-8/h2-6,9,11-15,17-18H,7H2,1H3
InChIKeyYCKKAXDZPAQYOF-UHFFFAOYSA-N
XLogP-0.23
TPSA96.22 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.29
LogP ≤ 5-0.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(3,4-dihydroxy-5-phenyloxolan-2-yl)-3-hydroxypropanoate?
The IUPAC name of methyl 3-(3,4-dihydroxy-5-phenyloxolan-2-yl)-3-hydroxypropanoate (CID 45360157) is methyl 3-(3,4-dihydroxy-5-phenyloxolan-2-yl)-3-hydroxypropanoate.
What is the SMILES notation for methyl 3-(3,4-dihydroxy-5-phenyloxolan-2-yl)-3-hydroxypropanoate?
The canonical SMILES for methyl 3-(3,4-dihydroxy-5-phenyloxolan-2-yl)-3-hydroxypropanoate is COC(=O)CC(O)C1OC(c2ccccc2)C(O)C1O.
What is the InChIKey of methyl 3-(3,4-dihydroxy-5-phenyloxolan-2-yl)-3-hydroxypropanoate?
The InChIKey is YCKKAXDZPAQYOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O6/c1-19-10(16)7-9(15)14-12(18)11(17)13(20-14)8-5-3-2-4-6-8/h2-6,9,11-15,17-18H,7H2,1H3.
What are the key properties of methyl 3-(3,4-dihydroxy-5-phenyloxolan-2-yl)-3-hydroxypropanoate?
methyl 3-(3,4-dihydroxy-5-phenyloxolan-2-yl)-3-hydroxypropanoate has a molecular weight of 282.29 g/mol, XLogP of -0.23, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(3,4-dihydroxy-5-phenyloxolan-2-yl)-3-hydroxypropanoate is sourced from PubChem (CID 45360157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).