(2S,4R,5R)-2-methoxy-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-3-one

C20H22O5 — CID 53493674

IUPAC(2S,4R,5R)-2-methoxy-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-3-one
SMILESCO[C@H]1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)C1=O
InChIInChI=1S/C20H22O5/c1-22-20-18(21)19(24-13-16-10-6-3-7-11-16)17(25-20)14-23-12-15-8-4-2-5-9-15/h2-11,17,19-20H,12-14H2,1H3/t17-,19-,20+/m1/s1
InChIKeyNAOWUVUWHAHQNJ-RLLQIKCJSA-N
MW342.39 g/mol
LogP2.73
Rot. Bonds8

About (2S,4R,5R)-2-methoxy-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-3-one

(2S,4R,5R)-2-methoxy-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-3-one (PubChem CID 53493674) has the molecular formula C20H22O5 and a molecular weight of 342.39 g/mol. Its IUPAC name is (2S,4R,5R)-2-methoxy-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-3-one.

Molecular Properties

Compound Name(2S,4R,5R)-2-methoxy-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-3-one
PubChem CID53493674
Molecular FormulaC20H22O5
Molecular Weight342.39 g/mol
Exact Mass342.15
IUPAC Name(2S,4R,5R)-2-methoxy-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-3-one
SMILESCO[C@H]1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)C1=O
InChIInChI=1S/C20H22O5/c1-22-20-18(21)19(24-13-16-10-6-3-7-11-16)17(25-20)14-23-12-15-8-4-2-5-9-15/h2-11,17,19-20H,12-14H2,1H3/t17-,19-,20+/m1/s1
InChIKeyNAOWUVUWHAHQNJ-RLLQIKCJSA-N
XLogP2.73
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.39
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S,4R,5R)-2-methoxy-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-3-one?
The IUPAC name of (2S,4R,5R)-2-methoxy-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-3-one (CID 53493674) is (2S,4R,5R)-2-methoxy-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-3-one.
What is the SMILES notation for (2S,4R,5R)-2-methoxy-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-3-one?
The canonical SMILES for (2S,4R,5R)-2-methoxy-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-3-one is CO[C@H]1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)C1=O.
What is the InChIKey of (2S,4R,5R)-2-methoxy-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-3-one?
The InChIKey is NAOWUVUWHAHQNJ-RLLQIKCJSA-N. The full InChI is InChI=1S/C20H22O5/c1-22-20-18(21)19(24-13-16-10-6-3-7-11-16)17(25-20)14-23-12-15-8-4-2-5-9-15/h2-11,17,19-20H,12-14H2,1H3/t17-,19-,20+/m1/s1.
What are the key properties of (2S,4R,5R)-2-methoxy-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-3-one?
(2S,4R,5R)-2-methoxy-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-3-one has a molecular weight of 342.39 g/mol, XLogP of 2.73, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R,5R)-2-methoxy-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-3-one is sourced from PubChem (CID 53493674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).