[(2R,3S,4S,5S)-5-methoxy-3,4-bis(pyridin-2-ylmethoxy)oxolan-2-yl]methanol

C18H22N2O5 — CID 90773161

IUPAC[(2R,3S,4S,5S)-5-methoxy-3,4-bis(pyridin-2-ylmethoxy)oxolan-2-yl]methanol
SMILESCO[C@H]1O[C@H](CO)[C@H](OCc2ccccn2)[C@@H]1OCc1ccccn1
InChIInChI=1S/C18H22N2O5/c1-22-18-17(24-12-14-7-3-5-9-20-14)16(15(10-21)25-18)23-11-13-6-2-4-8-19-13/h2-9,15-18,21H,10-12H2,1H3/t15-,16+,17+,18+/m1/s1
InChIKeyDUWHZFYVDLXRBQ-OWSLCNJRSA-N
MW346.38 g/mol
LogP1.31
Rot. Bonds8

About [(2R,3S,4S,5S)-5-methoxy-3,4-bis(pyridin-2-ylmethoxy)oxolan-2-yl]methanol

[(2R,3S,4S,5S)-5-methoxy-3,4-bis(pyridin-2-ylmethoxy)oxolan-2-yl]methanol (PubChem CID 90773161) has the molecular formula C18H22N2O5 and a molecular weight of 346.38 g/mol. Its IUPAC name is [(2R,3S,4S,5S)-5-methoxy-3,4-bis(pyridin-2-ylmethoxy)oxolan-2-yl]methanol.

Molecular Properties

Compound Name[(2R,3S,4S,5S)-5-methoxy-3,4-bis(pyridin-2-ylmethoxy)oxolan-2-yl]methanol
PubChem CID90773161
Molecular FormulaC18H22N2O5
Molecular Weight346.38 g/mol
Exact Mass346.15
IUPAC Name[(2R,3S,4S,5S)-5-methoxy-3,4-bis(pyridin-2-ylmethoxy)oxolan-2-yl]methanol
SMILESCO[C@H]1O[C@H](CO)[C@H](OCc2ccccn2)[C@@H]1OCc1ccccn1
InChIInChI=1S/C18H22N2O5/c1-22-18-17(24-12-14-7-3-5-9-20-14)16(15(10-21)25-18)23-11-13-6-2-4-8-19-13/h2-9,15-18,21H,10-12H2,1H3/t15-,16+,17+,18+/m1/s1
InChIKeyDUWHZFYVDLXRBQ-OWSLCNJRSA-N
XLogP1.31
TPSA82.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [(2R,3S,4S,5S)-5-methoxy-3,4-bis(pyridin-2-ylmethoxy)oxolan-2-yl]methanol?
The IUPAC name of [(2R,3S,4S,5S)-5-methoxy-3,4-bis(pyridin-2-ylmethoxy)oxolan-2-yl]methanol (CID 90773161) is [(2R,3S,4S,5S)-5-methoxy-3,4-bis(pyridin-2-ylmethoxy)oxolan-2-yl]methanol.
What is the SMILES notation for [(2R,3S,4S,5S)-5-methoxy-3,4-bis(pyridin-2-ylmethoxy)oxolan-2-yl]methanol?
The canonical SMILES for [(2R,3S,4S,5S)-5-methoxy-3,4-bis(pyridin-2-ylmethoxy)oxolan-2-yl]methanol is CO[C@H]1O[C@H](CO)[C@H](OCc2ccccn2)[C@@H]1OCc1ccccn1.
What is the InChIKey of [(2R,3S,4S,5S)-5-methoxy-3,4-bis(pyridin-2-ylmethoxy)oxolan-2-yl]methanol?
The InChIKey is DUWHZFYVDLXRBQ-OWSLCNJRSA-N. The full InChI is InChI=1S/C18H22N2O5/c1-22-18-17(24-12-14-7-3-5-9-20-14)16(15(10-21)25-18)23-11-13-6-2-4-8-19-13/h2-9,15-18,21H,10-12H2,1H3/t15-,16+,17+,18+/m1/s1.
What are the key properties of [(2R,3S,4S,5S)-5-methoxy-3,4-bis(pyridin-2-ylmethoxy)oxolan-2-yl]methanol?
[(2R,3S,4S,5S)-5-methoxy-3,4-bis(pyridin-2-ylmethoxy)oxolan-2-yl]methanol has a molecular weight of 346.38 g/mol, XLogP of 1.31, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,4S,5S)-5-methoxy-3,4-bis(pyridin-2-ylmethoxy)oxolan-2-yl]methanol is sourced from PubChem (CID 90773161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).