(2R,3S,4S,5R,6S)-5-methoxy-6-(methoxymethyl)oxane-2,3,4-triol

C8H16O6 — CID 125028190

IUPAC(2R,3S,4S,5R,6S)-5-methoxy-6-(methoxymethyl)oxane-2,3,4-triol
SMILESCOC[C@@H]1O[C@@H](O)[C@@H](O)[C@H](O)[C@H]1OC
InChIInChI=1S/C8H16O6/c1-12-3-4-7(13-2)5(9)6(10)8(11)14-4/h4-11H,3H2,1-2H3/t4-,5-,6-,7-,8+/m0/s1
InChIKeyPCFSZBHNMOUVLB-DMHSOCPYSA-N
MW208.21 g/mol
LogP-1.91
Rot. Bonds3

About (2R,3S,4S,5R,6S)-5-methoxy-6-(methoxymethyl)oxane-2,3,4-triol

(2R,3S,4S,5R,6S)-5-methoxy-6-(methoxymethyl)oxane-2,3,4-triol (PubChem CID 125028190) has the molecular formula C8H16O6 and a molecular weight of 208.21 g/mol. Its IUPAC name is (2R,3S,4S,5R,6S)-5-methoxy-6-(methoxymethyl)oxane-2,3,4-triol.

Molecular Properties

Compound Name(2R,3S,4S,5R,6S)-5-methoxy-6-(methoxymethyl)oxane-2,3,4-triol
PubChem CID125028190
Molecular FormulaC8H16O6
Molecular Weight208.21 g/mol
Exact Mass208.09
IUPAC Name(2R,3S,4S,5R,6S)-5-methoxy-6-(methoxymethyl)oxane-2,3,4-triol
SMILESCOC[C@@H]1O[C@@H](O)[C@@H](O)[C@H](O)[C@H]1OC
InChIInChI=1S/C8H16O6/c1-12-3-4-7(13-2)5(9)6(10)8(11)14-4/h4-11H,3H2,1-2H3/t4-,5-,6-,7-,8+/m0/s1
InChIKeyPCFSZBHNMOUVLB-DMHSOCPYSA-N
XLogP-1.91
TPSA88.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.21
LogP ≤ 5-1.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

(3R,4S,5R,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-ol
CID 12903171
(2S,3R,4S,5S,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-ol
CID 12903172
3-methoxy-6-(methoxymethyl)oxane-2,4,5-triol
CID 6421426
(2S,3S,4S,5S,6R)-6-(methoxymethyl)oxane-2,3,4,5-tetrol
CID 26176683
(3R,4S,5R,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-ol;hydrobromide
CID 175363710
(2S,3S,4R,5R,6S,7S)-7-(hydroxymethyl)-6-methoxyoxepane-2,3,4,5-tetrol
CID 90798926
(2R,3S,4R,5S,6S)-6-(iodomethyl)-5-methoxyoxane-2,3,4-triol
CID 141014802
(2R,3S,4S,5R)-5-(hydroxymethyl)-4-methoxyoxolane-2,3-diol
CID 130976876
5-ethyl-4-methoxyoxolane-2,3-diol
CID 74429889
(3R,4S,5R,6R)-5-methoxy-6-prop-2-enyloxane-2,3,4-triol
CID 162462298
(3R,4R,6S)-2-(hydroxymethyl)-6-[(3S,4S,6S)-4,5,6-trihydroxy-2-(methoxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol
CID 140557407
(2R,3S,4S,5R,6R)-6-[(2R,3S,4S,5R,6S)-4,6-dihydroxy-5-methoxy-2-(methoxymethyl)oxan-3-yl]oxy-5-methoxy-2-(methoxymethyl)oxane-3,4-diol
CID 101341902

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5R,6S)-5-methoxy-6-(methoxymethyl)oxane-2,3,4-triol?
The IUPAC name of (2R,3S,4S,5R,6S)-5-methoxy-6-(methoxymethyl)oxane-2,3,4-triol (CID 125028190) is (2R,3S,4S,5R,6S)-5-methoxy-6-(methoxymethyl)oxane-2,3,4-triol.
What is the SMILES notation for (2R,3S,4S,5R,6S)-5-methoxy-6-(methoxymethyl)oxane-2,3,4-triol?
The canonical SMILES for (2R,3S,4S,5R,6S)-5-methoxy-6-(methoxymethyl)oxane-2,3,4-triol is COC[C@@H]1O[C@@H](O)[C@@H](O)[C@H](O)[C@H]1OC.
What is the InChIKey of (2R,3S,4S,5R,6S)-5-methoxy-6-(methoxymethyl)oxane-2,3,4-triol?
The InChIKey is PCFSZBHNMOUVLB-DMHSOCPYSA-N. The full InChI is InChI=1S/C8H16O6/c1-12-3-4-7(13-2)5(9)6(10)8(11)14-4/h4-11H,3H2,1-2H3/t4-,5-,6-,7-,8+/m0/s1.
What are the key properties of (2R,3S,4S,5R,6S)-5-methoxy-6-(methoxymethyl)oxane-2,3,4-triol?
(2R,3S,4S,5R,6S)-5-methoxy-6-(methoxymethyl)oxane-2,3,4-triol has a molecular weight of 208.21 g/mol, XLogP of -1.91, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5R,6S)-5-methoxy-6-(methoxymethyl)oxane-2,3,4-triol is sourced from PubChem (CID 125028190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).