(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-methoxy-4,5-bis(phenylmethoxy)oxan-3-ol

C21H26O6 — CID 10937634

IUPAC(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-methoxy-4,5-bis(phenylmethoxy)oxan-3-ol
SMILESCO[C@H]1O[C@H](CO)[C@H](O)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1
InChIInChI=1S/C21H26O6/c1-24-21-20(26-14-16-10-6-3-7-11-16)19(18(23)17(12-22)27-21)25-13-15-8-4-2-5-9-15/h2-11,17-23H,12-14H2,1H3/t17-,18+,19+,20-,21+/m1/s1
InChIKeyAOHYQGVMTDLXSL-IFLJBQAJSA-N
MW374.43 g/mol
LogP1.88
Rot. Bonds8

About (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-methoxy-4,5-bis(phenylmethoxy)oxan-3-ol

(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-methoxy-4,5-bis(phenylmethoxy)oxan-3-ol (PubChem CID 10937634) has the molecular formula C21H26O6 and a molecular weight of 374.43 g/mol. Its IUPAC name is (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-methoxy-4,5-bis(phenylmethoxy)oxan-3-ol.

Molecular Properties

Compound Name(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-methoxy-4,5-bis(phenylmethoxy)oxan-3-ol
PubChem CID10937634
Molecular FormulaC21H26O6
Molecular Weight374.43 g/mol
Exact Mass374.17
IUPAC Name(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-methoxy-4,5-bis(phenylmethoxy)oxan-3-ol
SMILESCO[C@H]1O[C@H](CO)[C@H](O)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1
InChIInChI=1S/C21H26O6/c1-24-21-20(26-14-16-10-6-3-7-11-16)19(18(23)17(12-22)27-21)25-13-15-8-4-2-5-9-15/h2-11,17-23H,12-14H2,1H3/t17-,18+,19+,20-,21+/m1/s1
InChIKeyAOHYQGVMTDLXSL-IFLJBQAJSA-N
XLogP1.88
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.43
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-methoxy-4,5-bis(phenylmethoxy)oxan-3-ol?
The IUPAC name of (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-methoxy-4,5-bis(phenylmethoxy)oxan-3-ol (CID 10937634) is (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-methoxy-4,5-bis(phenylmethoxy)oxan-3-ol.
What is the SMILES notation for (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-methoxy-4,5-bis(phenylmethoxy)oxan-3-ol?
The canonical SMILES for (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-methoxy-4,5-bis(phenylmethoxy)oxan-3-ol is CO[C@H]1O[C@H](CO)[C@H](O)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1.
What is the InChIKey of (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-methoxy-4,5-bis(phenylmethoxy)oxan-3-ol?
The InChIKey is AOHYQGVMTDLXSL-IFLJBQAJSA-N. The full InChI is InChI=1S/C21H26O6/c1-24-21-20(26-14-16-10-6-3-7-11-16)19(18(23)17(12-22)27-21)25-13-15-8-4-2-5-9-15/h2-11,17-23H,12-14H2,1H3/t17-,18+,19+,20-,21+/m1/s1.
What are the key properties of (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-methoxy-4,5-bis(phenylmethoxy)oxan-3-ol?
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-methoxy-4,5-bis(phenylmethoxy)oxan-3-ol has a molecular weight of 374.43 g/mol, XLogP of 1.88, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-methoxy-4,5-bis(phenylmethoxy)oxan-3-ol is sourced from PubChem (CID 10937634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).