(2R,3R,4S,5R,6S)-2-methoxy-6-methyl-5-phenylmethoxyoxane-3,4-diol

C14H20O5 — CID 1284354

IUPAC(2R,3R,4S,5R,6S)-2-methoxy-6-methyl-5-phenylmethoxyoxane-3,4-diol
SMILESCO[C@@H]1O[C@@H](C)[C@H](OCc2ccccc2)[C@@H](O)[C@H]1O
InChIInChI=1S/C14H20O5/c1-9-13(11(15)12(16)14(17-2)19-9)18-8-10-6-4-3-5-7-10/h3-7,9,11-16H,8H2,1-2H3/t9-,11-,12+,13-,14+/m0/s1
InChIKeyUKHJYNJLXQXFTI-FRVYIDGWSA-N
MW268.31 g/mol
LogP0.68
Rot. Bonds4

About (2R,3R,4S,5R,6S)-2-methoxy-6-methyl-5-phenylmethoxyoxane-3,4-diol

(2R,3R,4S,5R,6S)-2-methoxy-6-methyl-5-phenylmethoxyoxane-3,4-diol (PubChem CID 1284354) has the molecular formula C14H20O5 and a molecular weight of 268.31 g/mol. Its IUPAC name is (2R,3R,4S,5R,6S)-2-methoxy-6-methyl-5-phenylmethoxyoxane-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4S,5R,6S)-2-methoxy-6-methyl-5-phenylmethoxyoxane-3,4-diol
PubChem CID1284354
Molecular FormulaC14H20O5
Molecular Weight268.31 g/mol
Exact Mass268.13
IUPAC Name(2R,3R,4S,5R,6S)-2-methoxy-6-methyl-5-phenylmethoxyoxane-3,4-diol
SMILESCO[C@@H]1O[C@@H](C)[C@H](OCc2ccccc2)[C@@H](O)[C@H]1O
InChIInChI=1S/C14H20O5/c1-9-13(11(15)12(16)14(17-2)19-9)18-8-10-6-4-3-5-7-10/h3-7,9,11-16H,8H2,1-2H3/t9-,11-,12+,13-,14+/m0/s1
InChIKeyUKHJYNJLXQXFTI-FRVYIDGWSA-N
XLogP0.68
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,3R,4S,5S,6S)-2-methoxy-6-methyl-4,5-bis(phenylmethoxy)oxan-3-ol
CID 10808327
(2R,3R,4R,5S,6S)-3-fluoro-2-methoxy-6-methyl-5-phenylmethoxyoxan-4-ol
CID 14052144
(2R,3S,4S,5R,6R)-2-methyl-3,5,6-tris(phenylmethoxy)oxan-4-ol
CID 11080578
6-(4,5-dihydroxy-2-methoxy-6-methyloxan-3-yl)oxy-2-methyl-5-phenylmethoxyoxane-3,4-diol
CID 163040985
(2R,3R,4R,5R,6R)-2-methoxy-6-methyl-5-[(2R,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxane-3,4-diol
CID 14058132
(2S,3R,4S,5S,6S)-2-methoxy-3,6-dimethyl-4,5-bis(phenylmethoxy)oxane
CID 101084326
(2R,3R,4R,5S,6S)-2,4,5-trimethoxy-6-methyl-3-phenylmethoxyoxane
CID 11500331
(2R,3R,4R,5S,6R)-2-methoxy-5-phenylmethoxy-6-(phenylmethoxymethyl)oxane-3,4-diol
CID 102496220
(2S,3R,4S,5R,6S)-6-methoxy-2-[(2R,3S)-3-methyloxiran-2-yl]-4,5-bis(phenylmethoxy)oxan-3-ol
CID 14525549
(2S,3R,4R,5R,6S)-2-(4-methoxyphenoxy)-6-methyl-3,5-bis(phenylmethoxy)oxan-4-ol
CID 25178075
(2R,3R,4S,5R,6R)-2-methyl-6-phenylmethoxyoxane-3,4,5-triol
CID 102303729
(2S,3R,4R,5R)-5-(hydroxymethyl)-2-methoxy-4-phenylmethoxyoxolan-3-ol
CID 10800923

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5R,6S)-2-methoxy-6-methyl-5-phenylmethoxyoxane-3,4-diol?
The IUPAC name of (2R,3R,4S,5R,6S)-2-methoxy-6-methyl-5-phenylmethoxyoxane-3,4-diol (CID 1284354) is (2R,3R,4S,5R,6S)-2-methoxy-6-methyl-5-phenylmethoxyoxane-3,4-diol.
What is the SMILES notation for (2R,3R,4S,5R,6S)-2-methoxy-6-methyl-5-phenylmethoxyoxane-3,4-diol?
The canonical SMILES for (2R,3R,4S,5R,6S)-2-methoxy-6-methyl-5-phenylmethoxyoxane-3,4-diol is CO[C@@H]1O[C@@H](C)[C@H](OCc2ccccc2)[C@@H](O)[C@H]1O.
What is the InChIKey of (2R,3R,4S,5R,6S)-2-methoxy-6-methyl-5-phenylmethoxyoxane-3,4-diol?
The InChIKey is UKHJYNJLXQXFTI-FRVYIDGWSA-N. The full InChI is InChI=1S/C14H20O5/c1-9-13(11(15)12(16)14(17-2)19-9)18-8-10-6-4-3-5-7-10/h3-7,9,11-16H,8H2,1-2H3/t9-,11-,12+,13-,14+/m0/s1.
What are the key properties of (2R,3R,4S,5R,6S)-2-methoxy-6-methyl-5-phenylmethoxyoxane-3,4-diol?
(2R,3R,4S,5R,6S)-2-methoxy-6-methyl-5-phenylmethoxyoxane-3,4-diol has a molecular weight of 268.31 g/mol, XLogP of 0.68, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5R,6S)-2-methoxy-6-methyl-5-phenylmethoxyoxane-3,4-diol is sourced from PubChem (CID 1284354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).