(2R,4S,5S)-6-(hydroxymethyl)-2,5-dimethoxyoxane-3,4-diol

C8H16O6 — CID 153463753

IUPAC(2R,4S,5S)-6-(hydroxymethyl)-2,5-dimethoxyoxane-3,4-diol
SMILESCO[C@@H]1OC(CO)[C@@H](OC)[C@@H](O)C1O
InChIInChI=1S/C8H16O6/c1-12-7-4(3-9)14-8(13-2)6(11)5(7)10/h4-11H,3H2,1-2H3/t4?,5-,6?,7+,8+/m0/s1
InChIKeyYEEFEWNECFNTEE-SHIRPBDBSA-N
MW208.21 g/mol
LogP-1.91
Rot. Bonds3

About (2R,4S,5S)-6-(hydroxymethyl)-2,5-dimethoxyoxane-3,4-diol

(2R,4S,5S)-6-(hydroxymethyl)-2,5-dimethoxyoxane-3,4-diol (PubChem CID 153463753) has the molecular formula C8H16O6 and a molecular weight of 208.21 g/mol. Its IUPAC name is (2R,4S,5S)-6-(hydroxymethyl)-2,5-dimethoxyoxane-3,4-diol.

Molecular Properties

Compound Name(2R,4S,5S)-6-(hydroxymethyl)-2,5-dimethoxyoxane-3,4-diol
PubChem CID153463753
Molecular FormulaC8H16O6
Molecular Weight208.21 g/mol
Exact Mass208.09
IUPAC Name(2R,4S,5S)-6-(hydroxymethyl)-2,5-dimethoxyoxane-3,4-diol
SMILESCO[C@@H]1OC(CO)[C@@H](OC)[C@@H](O)C1O
InChIInChI=1S/C8H16O6/c1-12-7-4(3-9)14-8(13-2)6(11)5(7)10/h4-11H,3H2,1-2H3/t4?,5-,6?,7+,8+/m0/s1
InChIKeyYEEFEWNECFNTEE-SHIRPBDBSA-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,4R,5R)-6-(hydroxymethyl)-2,5-dimethoxyoxane-3,4-diol
CID 58090235
6-(hydroxymethyl)-2,5-dimethoxyoxane-3,4-diol;methane
CID 163618143
(2R,3R,4R,5S,6R)-6-(hydroxymethyl)-2,4,5-trimethoxyoxan-3-ol
CID 54407177
(3R,4R,5R,6R)-6-(hydroxymethyl)-2,4,5-trimethoxyoxan-3-ol
CID 11608251
6-(hydroxymethyl)-5-methoxy-2-phosphanyloxyoxane-3,4-diol
CID 159542010
(3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-(hydroxymethyl)oxane-2,3,4-triol
CID 91851689
(2S,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-(hydroxymethyl)oxane-2,3,4-triol
CID 156616825
(2R,3R,4R,5S,6R)-2-ethoxy-6-(hydroxymethyl)-5-methoxyoxane-3,4-diol
CID 101177678
(2S,3S,4S)-2-(hydroxymethyl)-5-methoxyoxolane-3,4-diol
CID 12042993
(2R,3R,4S,5S)-2-(hydroxymethyl)-5-methoxyoxolane-3,4-diol
CID 12889250
(2R,3S,4S,5R)-5-(hydroxymethyl)-4-methoxyoxolane-2,3-diol
CID 130976876
(2R,3S,4R)-2-(hydroxymethyl)-5-methoxyoxolane-3,4-diol
CID 11789546

Frequently Asked Questions

What is the IUPAC name of (2R,4S,5S)-6-(hydroxymethyl)-2,5-dimethoxyoxane-3,4-diol?
The IUPAC name of (2R,4S,5S)-6-(hydroxymethyl)-2,5-dimethoxyoxane-3,4-diol (CID 153463753) is (2R,4S,5S)-6-(hydroxymethyl)-2,5-dimethoxyoxane-3,4-diol.
What is the SMILES notation for (2R,4S,5S)-6-(hydroxymethyl)-2,5-dimethoxyoxane-3,4-diol?
The canonical SMILES for (2R,4S,5S)-6-(hydroxymethyl)-2,5-dimethoxyoxane-3,4-diol is CO[C@@H]1OC(CO)[C@@H](OC)[C@@H](O)C1O.
What is the InChIKey of (2R,4S,5S)-6-(hydroxymethyl)-2,5-dimethoxyoxane-3,4-diol?
The InChIKey is YEEFEWNECFNTEE-SHIRPBDBSA-N. The full InChI is InChI=1S/C8H16O6/c1-12-7-4(3-9)14-8(13-2)6(11)5(7)10/h4-11H,3H2,1-2H3/t4?,5-,6?,7+,8+/m0/s1.
What are the key properties of (2R,4S,5S)-6-(hydroxymethyl)-2,5-dimethoxyoxane-3,4-diol?
(2R,4S,5S)-6-(hydroxymethyl)-2,5-dimethoxyoxane-3,4-diol 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,4S,5S)-6-(hydroxymethyl)-2,5-dimethoxyoxane-3,4-diol is sourced from PubChem (CID 153463753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).