(2S,3S,4S,5R,6S)-2-phenoxy-6-(phenylmethoxymethyl)-4-propoxyoxane-3,5-diol

C22H28O6 — CID 71719675

IUPAC(2S,3S,4S,5R,6S)-2-phenoxy-6-(phenylmethoxymethyl)-4-propoxyoxane-3,5-diol
SMILESCCCO[C@@H]1[C@H](O)[C@H](Oc2ccccc2)O[C@@H](COCc2ccccc2)[C@H]1O
InChIInChI=1S/C22H28O6/c1-2-13-26-21-19(23)18(15-25-14-16-9-5-3-6-10-16)28-22(20(21)24)27-17-11-7-4-8-12-17/h3-12,18-24H,2,13-15H2,1H3/t18-,19+,20-,21-,22+/m0/s1
InChIKeyUDNMKBWZAWAZBA-LILSUDLASA-N
MW388.46 g/mol
LogP2.52
Rot. Bonds9

About (2S,3S,4S,5R,6S)-2-phenoxy-6-(phenylmethoxymethyl)-4-propoxyoxane-3,5-diol

(2S,3S,4S,5R,6S)-2-phenoxy-6-(phenylmethoxymethyl)-4-propoxyoxane-3,5-diol (PubChem CID 71719675) has the molecular formula C22H28O6 and a molecular weight of 388.46 g/mol. Its IUPAC name is (2S,3S,4S,5R,6S)-2-phenoxy-6-(phenylmethoxymethyl)-4-propoxyoxane-3,5-diol.

Molecular Properties

Compound Name(2S,3S,4S,5R,6S)-2-phenoxy-6-(phenylmethoxymethyl)-4-propoxyoxane-3,5-diol
PubChem CID71719675
Molecular FormulaC22H28O6
Molecular Weight388.46 g/mol
Exact Mass388.19
IUPAC Name(2S,3S,4S,5R,6S)-2-phenoxy-6-(phenylmethoxymethyl)-4-propoxyoxane-3,5-diol
SMILESCCCO[C@@H]1[C@H](O)[C@H](Oc2ccccc2)O[C@@H](COCc2ccccc2)[C@H]1O
InChIInChI=1S/C22H28O6/c1-2-13-26-21-19(23)18(15-25-14-16-9-5-3-6-10-16)28-22(20(21)24)27-17-11-7-4-8-12-17/h3-12,18-24H,2,13-15H2,1H3/t18-,19+,20-,21-,22+/m0/s1
InChIKeyUDNMKBWZAWAZBA-LILSUDLASA-N
XLogP2.52
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.46
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2S,3R,4S,5S,6R)-2-(4-methoxyphenoxy)-6-(phenylmethoxymethyl)-4-prop-2-enoxyoxane-3,5-diol
CID 10949753
(3R,6R)-6-(4-methoxyphenoxy)-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-ol
CID 138967093
(2R,3S,4S,5R)-4,5,6-tris(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-ol
CID 174503596
(2S,3R,4S,5R,6R)-5-phenoxy-2,3-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-4-ol
CID 13083854
(2R,3R,4S,5R,6S)-4,5,6-trimethoxy-2-(phenylmethoxymethyl)oxan-3-ol
CID 14374475
(2R,3S,4S,5R,6R)-4,5,6-trimethoxy-2-(phenylmethoxymethyl)oxan-3-ol
CID 10828905
(2S,3R,4S,5R,6R)-2-(4-methoxyphenoxy)-3,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-4-ol
CID 10769142
(2R,3R,4S,5R)-2,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-3-ol
CID 90477385
6-(4-methoxyphenoxy)-5-methyl-2-(phenylmethoxymethyl)oxane-3,4-diol
CID 59863611
(3R,4R,5S)-2-methoxy-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-3-ol
CID 11267933
[(2S,3R,4S,5R,6R)-3-acetyloxy-2-(4-acetyloxyphenoxy)-5-hydroxy-6-(phenylmethoxymethyl)oxan-4-yl] acetate
CID 134277145
(2R,3R,4R,5R)-5-methoxy-4-(methoxymethoxy)-2-(phenylmethoxymethyl)oxolan-3-ol
CID 101366897

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4S,5R,6S)-2-phenoxy-6-(phenylmethoxymethyl)-4-propoxyoxane-3,5-diol?
The IUPAC name of (2S,3S,4S,5R,6S)-2-phenoxy-6-(phenylmethoxymethyl)-4-propoxyoxane-3,5-diol (CID 71719675) is (2S,3S,4S,5R,6S)-2-phenoxy-6-(phenylmethoxymethyl)-4-propoxyoxane-3,5-diol.
What is the SMILES notation for (2S,3S,4S,5R,6S)-2-phenoxy-6-(phenylmethoxymethyl)-4-propoxyoxane-3,5-diol?
The canonical SMILES for (2S,3S,4S,5R,6S)-2-phenoxy-6-(phenylmethoxymethyl)-4-propoxyoxane-3,5-diol is CCCO[C@@H]1[C@H](O)[C@H](Oc2ccccc2)O[C@@H](COCc2ccccc2)[C@H]1O.
What is the InChIKey of (2S,3S,4S,5R,6S)-2-phenoxy-6-(phenylmethoxymethyl)-4-propoxyoxane-3,5-diol?
The InChIKey is UDNMKBWZAWAZBA-LILSUDLASA-N. The full InChI is InChI=1S/C22H28O6/c1-2-13-26-21-19(23)18(15-25-14-16-9-5-3-6-10-16)28-22(20(21)24)27-17-11-7-4-8-12-17/h3-12,18-24H,2,13-15H2,1H3/t18-,19+,20-,21-,22+/m0/s1.
What are the key properties of (2S,3S,4S,5R,6S)-2-phenoxy-6-(phenylmethoxymethyl)-4-propoxyoxane-3,5-diol?
(2S,3S,4S,5R,6S)-2-phenoxy-6-(phenylmethoxymethyl)-4-propoxyoxane-3,5-diol has a molecular weight of 388.46 g/mol, XLogP of 2.52, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4S,5R,6S)-2-phenoxy-6-(phenylmethoxymethyl)-4-propoxyoxane-3,5-diol is sourced from PubChem (CID 71719675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).