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

C8H16O5 — CID 122579164

IUPAC(4R,5S)-6-(hydroxymethyl)-5-methoxy-2-methyloxane-3,4-diol
SMILESCO[C@@H]1C(CO)OC(C)C(O)[C@H]1O
InChIInChI=1S/C8H16O5/c1-4-6(10)7(11)8(12-2)5(3-9)13-4/h4-11H,3H2,1-2H3/t4?,5?,6?,7-,8-/m1/s1
InChIKeyYDXSDCXQFPCBLH-RODKDNROSA-N
MW192.21 g/mol
LogP-1.50
Rot. Bonds2

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

(4R,5S)-6-(hydroxymethyl)-5-methoxy-2-methyloxane-3,4-diol (PubChem CID 122579164) has the molecular formula C8H16O5 and a molecular weight of 192.21 g/mol. Its IUPAC name is (4R,5S)-6-(hydroxymethyl)-5-methoxy-2-methyloxane-3,4-diol.

Molecular Properties

Compound Name(4R,5S)-6-(hydroxymethyl)-5-methoxy-2-methyloxane-3,4-diol
PubChem CID122579164
Molecular FormulaC8H16O5
Molecular Weight192.21 g/mol
Exact Mass192.10
IUPAC Name(4R,5S)-6-(hydroxymethyl)-5-methoxy-2-methyloxane-3,4-diol
SMILESCO[C@@H]1C(CO)OC(C)C(O)[C@H]1O
InChIInChI=1S/C8H16O5/c1-4-6(10)7(11)8(12-2)5(3-9)13-4/h4-11H,3H2,1-2H3/t4?,5?,6?,7-,8-/m1/s1
InChIKeyYDXSDCXQFPCBLH-RODKDNROSA-N
XLogP-1.50
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 5-1.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,3R,5S)-6-(hydroxymethyl)-5-methoxy-2-methyloxane-3,4-diol
CID 149339632
(2R,4R,5R)-6-(hydroxymethyl)-5-methoxy-2-methyloxane-3,4-diol;bis((2R,4R,5S)-6-(hydroxymethyl)-5-methoxy-2-methyloxane-3,4-diol);methane
CID 160896392
(2R,4R,5R)-6-(hydroxymethyl)-5-methoxy-2-methyloxane-3,4-diol;bis((2R,4R,5S)-6-(hydroxymethyl)-5-methoxy-2-methyloxane-3,4-diol);(2R,4R,5S)-5-methoxy-2,6-dimethyloxane-3,4-diol
CID 157104198
(2R,3S,4S,5R)-5-(hydroxymethyl)-4-methoxyoxolane-2,3-diol
CID 130976876
(2S,3S,4R,5R,6S,7S)-7-(hydroxymethyl)-6-methoxyoxepane-2,3,4,5-tetrol
CID 90798926
tris((6R)-2-(hydroxymethyl)-4-methoxy-6-methyloxane-3,5-diol);tris((6R)-2-(hydroxymethyl)-5-methoxy-6-methyloxane-3,4-diol);methane
CID 163806086
(2R)-6-(hydroxymethyl)-2-methyl-5-methylsulfanyloxyoxane-3,4-diol
CID 134571167
(2R,4S,5S)-6-(hydroxymethyl)-2,5-dimethoxyoxane-3,4-diol
CID 153463753
(3R,4R,5R)-6-(hydroxymethyl)-2,5-dimethoxyoxane-3,4-diol
CID 58090235
(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-4-methoxyoxane-2,3,5-triol
CID 102594811
(2R,3S,4R,5R,6R)-6-(hydroxymethyl)-4-methoxyoxane-2,3,5-triol
CID 97050066
(3R,4S,5R,6R)-6-(hydroxy(113C)methyl)-4-methoxyoxane-2,3,5-triol
CID 90472763

Frequently Asked Questions

What is the IUPAC name of (4R,5S)-6-(hydroxymethyl)-5-methoxy-2-methyloxane-3,4-diol?
The IUPAC name of (4R,5S)-6-(hydroxymethyl)-5-methoxy-2-methyloxane-3,4-diol (CID 122579164) is (4R,5S)-6-(hydroxymethyl)-5-methoxy-2-methyloxane-3,4-diol.
What is the SMILES notation for (4R,5S)-6-(hydroxymethyl)-5-methoxy-2-methyloxane-3,4-diol?
The canonical SMILES for (4R,5S)-6-(hydroxymethyl)-5-methoxy-2-methyloxane-3,4-diol is CO[C@@H]1C(CO)OC(C)C(O)[C@H]1O.
What is the InChIKey of (4R,5S)-6-(hydroxymethyl)-5-methoxy-2-methyloxane-3,4-diol?
The InChIKey is YDXSDCXQFPCBLH-RODKDNROSA-N. The full InChI is InChI=1S/C8H16O5/c1-4-6(10)7(11)8(12-2)5(3-9)13-4/h4-11H,3H2,1-2H3/t4?,5?,6?,7-,8-/m1/s1.
What are the key properties of (4R,5S)-6-(hydroxymethyl)-5-methoxy-2-methyloxane-3,4-diol?
(4R,5S)-6-(hydroxymethyl)-5-methoxy-2-methyloxane-3,4-diol has a molecular weight of 192.21 g/mol, XLogP of -1.50, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-6-(hydroxymethyl)-5-methoxy-2-methyloxane-3,4-diol is sourced from PubChem (CID 122579164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).