(2S,3R,4S,5R,6R)-3,4-dimethoxy-6-(phenylmethoxymethyl)oxane-2,5-diol

C15H22O6 — CID 22979812

IUPAC(2S,3R,4S,5R,6R)-3,4-dimethoxy-6-(phenylmethoxymethyl)oxane-2,5-diol
SMILESCO[C@@H]1[C@@H](OC)[C@H](O)[C@@H](COCc2ccccc2)O[C@@H]1O
InChIInChI=1S/C15H22O6/c1-18-13-12(16)11(21-15(17)14(13)19-2)9-20-8-10-6-4-3-5-7-10/h3-7,11-17H,8-9H2,1-2H3/t11-,12-,13+,14-,15+/m1/s1
InChIKeyJFQWXKAHKANPPX-QMIVOQANSA-N
MW298.33 g/mol
LogP0.31
Rot. Bonds6

About (2S,3R,4S,5R,6R)-3,4-dimethoxy-6-(phenylmethoxymethyl)oxane-2,5-diol

(2S,3R,4S,5R,6R)-3,4-dimethoxy-6-(phenylmethoxymethyl)oxane-2,5-diol (PubChem CID 22979812) has the molecular formula C15H22O6 and a molecular weight of 298.33 g/mol. Its IUPAC name is (2S,3R,4S,5R,6R)-3,4-dimethoxy-6-(phenylmethoxymethyl)oxane-2,5-diol.

Molecular Properties

Compound Name(2S,3R,4S,5R,6R)-3,4-dimethoxy-6-(phenylmethoxymethyl)oxane-2,5-diol
PubChem CID22979812
Molecular FormulaC15H22O6
Molecular Weight298.33 g/mol
Exact Mass298.14
IUPAC Name(2S,3R,4S,5R,6R)-3,4-dimethoxy-6-(phenylmethoxymethyl)oxane-2,5-diol
SMILESCO[C@@H]1[C@@H](OC)[C@H](O)[C@@H](COCc2ccccc2)O[C@@H]1O
InChIInChI=1S/C15H22O6/c1-18-13-12(16)11(21-15(17)14(13)19-2)9-20-8-10-6-4-3-5-7-10/h3-7,11-17H,8-9H2,1-2H3/t11-,12-,13+,14-,15+/m1/s1
InChIKeyJFQWXKAHKANPPX-QMIVOQANSA-N
XLogP0.31
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.33
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(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)-4-methoxy-3,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol
CID 70185855
(3S,4R,5S,6S)-6-(phenylmethoxymethyl)oxane-2,3,4,5-tetrol
CID 90672360
(2R,3R,4S,5S,6R)-3,4-dimethoxy-6-[(4-methoxyphenyl)methoxymethyl]-5-phenylmethoxyoxan-2-ol
CID 171123644
(2R,3S,4S,5R)-2-methoxy-5-(phenylmethoxymethyl)oxolane-3,4-diol
CID 11139675
(3R,4R,5S,6R)-3-amino-4-phenylmethoxy-6-(phenylmethoxymethyl)oxane-2,5-diol
CID 90939557
(2S,3R,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-ol
CID 67076623
(2R,3R,4R,5S)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-ol
CID 12933787
(2S,3R,4S,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-ol
CID 67076892
(2R,3R,4R,5R)-5-methoxy-4-(methoxymethoxy)-2-(phenylmethoxymethyl)oxolan-3-ol
CID 101366897
(3S,4R,5R)-3-[tert-butyl(diphenyl)silyl]oxy-5-(phenylmethoxymethyl)oxolane-2,4-diol
CID 101473888

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S,5R,6R)-3,4-dimethoxy-6-(phenylmethoxymethyl)oxane-2,5-diol?
The IUPAC name of (2S,3R,4S,5R,6R)-3,4-dimethoxy-6-(phenylmethoxymethyl)oxane-2,5-diol (CID 22979812) is (2S,3R,4S,5R,6R)-3,4-dimethoxy-6-(phenylmethoxymethyl)oxane-2,5-diol.
What is the SMILES notation for (2S,3R,4S,5R,6R)-3,4-dimethoxy-6-(phenylmethoxymethyl)oxane-2,5-diol?
The canonical SMILES for (2S,3R,4S,5R,6R)-3,4-dimethoxy-6-(phenylmethoxymethyl)oxane-2,5-diol is CO[C@@H]1[C@@H](OC)[C@H](O)[C@@H](COCc2ccccc2)O[C@@H]1O.
What is the InChIKey of (2S,3R,4S,5R,6R)-3,4-dimethoxy-6-(phenylmethoxymethyl)oxane-2,5-diol?
The InChIKey is JFQWXKAHKANPPX-QMIVOQANSA-N. The full InChI is InChI=1S/C15H22O6/c1-18-13-12(16)11(21-15(17)14(13)19-2)9-20-8-10-6-4-3-5-7-10/h3-7,11-17H,8-9H2,1-2H3/t11-,12-,13+,14-,15+/m1/s1.
What are the key properties of (2S,3R,4S,5R,6R)-3,4-dimethoxy-6-(phenylmethoxymethyl)oxane-2,5-diol?
(2S,3R,4S,5R,6R)-3,4-dimethoxy-6-(phenylmethoxymethyl)oxane-2,5-diol has a molecular weight of 298.33 g/mol, XLogP of 0.31, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S,5R,6R)-3,4-dimethoxy-6-(phenylmethoxymethyl)oxane-2,5-diol is sourced from PubChem (CID 22979812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).