[(2S,4S,5R,6S)-6-methoxy-3-methylidene-4,5-bis(phenylmethoxy)oxan-2-yl]methanol

C22H26O5 — CID 11760427

IUPAC[(2S,4S,5R,6S)-6-methoxy-3-methylidene-4,5-bis(phenylmethoxy)oxan-2-yl]methanol
SMILESC=C1[C@@H](CO)O[C@H](OC)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1
InChIInChI=1S/C22H26O5/c1-16-19(13-23)27-22(24-2)21(26-15-18-11-7-4-8-12-18)20(16)25-14-17-9-5-3-6-10-17/h3-12,19-23H,1,13-15H2,2H3/t19-,20+,21-,22+/m1/s1
InChIKeyFTKVIFRJBUMYGP-MBDNFAEBSA-N
MW370.44 g/mol
LogP3.08
Rot. Bonds8

About [(2S,4S,5R,6S)-6-methoxy-3-methylidene-4,5-bis(phenylmethoxy)oxan-2-yl]methanol

[(2S,4S,5R,6S)-6-methoxy-3-methylidene-4,5-bis(phenylmethoxy)oxan-2-yl]methanol (PubChem CID 11760427) has the molecular formula C22H26O5 and a molecular weight of 370.44 g/mol. Its IUPAC name is [(2S,4S,5R,6S)-6-methoxy-3-methylidene-4,5-bis(phenylmethoxy)oxan-2-yl]methanol.

Molecular Properties

Compound Name[(2S,4S,5R,6S)-6-methoxy-3-methylidene-4,5-bis(phenylmethoxy)oxan-2-yl]methanol
PubChem CID11760427
Molecular FormulaC22H26O5
Molecular Weight370.44 g/mol
Exact Mass370.18
IUPAC Name[(2S,4S,5R,6S)-6-methoxy-3-methylidene-4,5-bis(phenylmethoxy)oxan-2-yl]methanol
SMILESC=C1[C@@H](CO)O[C@H](OC)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1
InChIInChI=1S/C22H26O5/c1-16-19(13-23)27-22(24-2)21(26-15-18-11-7-4-8-12-18)20(16)25-14-17-9-5-3-6-10-17/h3-12,19-23H,1,13-15H2,2H3/t19-,20+,21-,22+/m1/s1
InChIKeyFTKVIFRJBUMYGP-MBDNFAEBSA-N
XLogP3.08
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.44
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(2S,4S,5R,6S)-6-methoxy-3-methylidene-4,5-bis(phenylmethoxy)oxan-2-yl]methanol?
The IUPAC name of [(2S,4S,5R,6S)-6-methoxy-3-methylidene-4,5-bis(phenylmethoxy)oxan-2-yl]methanol (CID 11760427) is [(2S,4S,5R,6S)-6-methoxy-3-methylidene-4,5-bis(phenylmethoxy)oxan-2-yl]methanol.
What is the SMILES notation for [(2S,4S,5R,6S)-6-methoxy-3-methylidene-4,5-bis(phenylmethoxy)oxan-2-yl]methanol?
The canonical SMILES for [(2S,4S,5R,6S)-6-methoxy-3-methylidene-4,5-bis(phenylmethoxy)oxan-2-yl]methanol is C=C1[C@@H](CO)O[C@H](OC)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1.
What is the InChIKey of [(2S,4S,5R,6S)-6-methoxy-3-methylidene-4,5-bis(phenylmethoxy)oxan-2-yl]methanol?
The InChIKey is FTKVIFRJBUMYGP-MBDNFAEBSA-N. The full InChI is InChI=1S/C22H26O5/c1-16-19(13-23)27-22(24-2)21(26-15-18-11-7-4-8-12-18)20(16)25-14-17-9-5-3-6-10-17/h3-12,19-23H,1,13-15H2,2H3/t19-,20+,21-,22+/m1/s1.
What are the key properties of [(2S,4S,5R,6S)-6-methoxy-3-methylidene-4,5-bis(phenylmethoxy)oxan-2-yl]methanol?
[(2S,4S,5R,6S)-6-methoxy-3-methylidene-4,5-bis(phenylmethoxy)oxan-2-yl]methanol has a molecular weight of 370.44 g/mol, XLogP of 3.08, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4S,5R,6S)-6-methoxy-3-methylidene-4,5-bis(phenylmethoxy)oxan-2-yl]methanol is sourced from PubChem (CID 11760427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).