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

C14H18O5 — CID 10061436

IUPACmethyl 3-[(2S,3S,4S,5R)-3,4-dihydroxy-5-phenyloxolan-2-yl]propanoate
SMILESCOC(=O)CC[C@@H]1O[C@H](c2ccccc2)[C@@H](O)[C@@H]1O
InChIInChI=1S/C14H18O5/c1-18-11(15)8-7-10-12(16)13(17)14(19-10)9-5-3-2-4-6-9/h2-6,10,12-14,16-17H,7-8H2,1H3/t10-,12+,13-,14+/m0/s1
InChIKeyRUDVTXZKYPJLFH-AHLTXXRQSA-N
MW266.29 g/mol
LogP0.80
Rot. Bonds4

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

methyl 3-[(2S,3S,4S,5R)-3,4-dihydroxy-5-phenyloxolan-2-yl]propanoate (PubChem CID 10061436) has the molecular formula C14H18O5 and a molecular weight of 266.29 g/mol. Its IUPAC name is methyl 3-[(2S,3S,4S,5R)-3,4-dihydroxy-5-phenyloxolan-2-yl]propanoate.

Molecular Properties

Compound Namemethyl 3-[(2S,3S,4S,5R)-3,4-dihydroxy-5-phenyloxolan-2-yl]propanoate
PubChem CID10061436
Molecular FormulaC14H18O5
Molecular Weight266.29 g/mol
Exact Mass266.12
IUPAC Namemethyl 3-[(2S,3S,4S,5R)-3,4-dihydroxy-5-phenyloxolan-2-yl]propanoate
SMILESCOC(=O)CC[C@@H]1O[C@H](c2ccccc2)[C@@H](O)[C@@H]1O
InChIInChI=1S/C14H18O5/c1-18-11(15)8-7-10-12(16)13(17)14(19-10)9-5-3-2-4-6-9/h2-6,10,12-14,16-17H,7-8H2,1H3/t10-,12+,13-,14+/m0/s1
InChIKeyRUDVTXZKYPJLFH-AHLTXXRQSA-N
XLogP0.80
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2S,3S,4S,5R)-3,4-dihydroxy-5-phenyloxolan-2-yl]propanoate?
The IUPAC name of methyl 3-[(2S,3S,4S,5R)-3,4-dihydroxy-5-phenyloxolan-2-yl]propanoate (CID 10061436) is methyl 3-[(2S,3S,4S,5R)-3,4-dihydroxy-5-phenyloxolan-2-yl]propanoate.
What is the SMILES notation for methyl 3-[(2S,3S,4S,5R)-3,4-dihydroxy-5-phenyloxolan-2-yl]propanoate?
The canonical SMILES for methyl 3-[(2S,3S,4S,5R)-3,4-dihydroxy-5-phenyloxolan-2-yl]propanoate is COC(=O)CC[C@@H]1O[C@H](c2ccccc2)[C@@H](O)[C@@H]1O.
What is the InChIKey of methyl 3-[(2S,3S,4S,5R)-3,4-dihydroxy-5-phenyloxolan-2-yl]propanoate?
The InChIKey is RUDVTXZKYPJLFH-AHLTXXRQSA-N. The full InChI is InChI=1S/C14H18O5/c1-18-11(15)8-7-10-12(16)13(17)14(19-10)9-5-3-2-4-6-9/h2-6,10,12-14,16-17H,7-8H2,1H3/t10-,12+,13-,14+/m0/s1.
What are the key properties of methyl 3-[(2S,3S,4S,5R)-3,4-dihydroxy-5-phenyloxolan-2-yl]propanoate?
methyl 3-[(2S,3S,4S,5R)-3,4-dihydroxy-5-phenyloxolan-2-yl]propanoate has a molecular weight of 266.29 g/mol, XLogP of 0.80, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2S,3S,4S,5R)-3,4-dihydroxy-5-phenyloxolan-2-yl]propanoate is sourced from PubChem (CID 10061436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).