(2R,3S,4R,6R)-2,4-dimethoxy-6-methyloxan-3-ol

C8H16O4 — CID 130927435

IUPAC(2R,3S,4R,6R)-2,4-dimethoxy-6-methyloxan-3-ol
SMILESCO[C@@H]1O[C@H](C)C[C@@H](OC)[C@@H]1O
InChIInChI=1S/C8H16O4/c1-5-4-6(10-2)7(9)8(11-3)12-5/h5-9H,4H2,1-3H3/t5-,6-,7+,8-/m1/s1
InChIKeyLOYFMRVEBZCEAP-OOJXKGFFSA-N
MW176.21 g/mol
LogP0.14
Rot. Bonds2

About (2R,3S,4R,6R)-2,4-dimethoxy-6-methyloxan-3-ol

(2R,3S,4R,6R)-2,4-dimethoxy-6-methyloxan-3-ol (PubChem CID 130927435) has the molecular formula C8H16O4 and a molecular weight of 176.21 g/mol. Its IUPAC name is (2R,3S,4R,6R)-2,4-dimethoxy-6-methyloxan-3-ol.

Molecular Properties

Compound Name(2R,3S,4R,6R)-2,4-dimethoxy-6-methyloxan-3-ol
PubChem CID130927435
Molecular FormulaC8H16O4
Molecular Weight176.21 g/mol
Exact Mass176.10
IUPAC Name(2R,3S,4R,6R)-2,4-dimethoxy-6-methyloxan-3-ol
SMILESCO[C@@H]1O[C@H](C)C[C@@H](OC)[C@@H]1O
InChIInChI=1S/C8H16O4/c1-5-4-6(10-2)7(9)8(11-3)12-5/h5-9H,4H2,1-3H3/t5-,6-,7+,8-/m1/s1
InChIKeyLOYFMRVEBZCEAP-OOJXKGFFSA-N
XLogP0.14
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.21
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethyl-2-methoxy-6-methyloxan-3-ol
CID 123374127
(2S,3S,4R,6R)-2,3-dimethoxy-6-methyloxan-4-ol
CID 10866852
(2R,4R)-3,4-dimethoxy-6-methyloxan-2-ol
CID 129044548
2-methoxy-6-methyl-4-morpholin-4-yloxan-3-ol
CID 143438871
(2S,3R,4R,5S)-2,5-dimethoxyoxolane-3,4-diol
CID 99945935
(2R,3R)-2,3-dimethoxy-6-methyloxane
CID 143625377
(2R)-6-(hydroxymethyl)-4-methoxy-2-methyloxan-3-ol
CID 129171598
(1R,2R,3S)-3-methoxycyclobutane-1,2-diol
CID 22814752
5-methoxyoxolane-2,3,4-triol
CID 122494930
(2R,3R,5S)-2-methoxy-6-methyloxane-3,4,5-triol
CID 155602482
(2R,5R)-2-methoxy-6-methyloxane-3,4,5-triol
CID 59892948
(2S,3R,4R,5S,6R)-2-methoxy-6-methyloxane-3,4,5-triol
CID 12904923

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,6R)-2,4-dimethoxy-6-methyloxan-3-ol?
The IUPAC name of (2R,3S,4R,6R)-2,4-dimethoxy-6-methyloxan-3-ol (CID 130927435) is (2R,3S,4R,6R)-2,4-dimethoxy-6-methyloxan-3-ol.
What is the SMILES notation for (2R,3S,4R,6R)-2,4-dimethoxy-6-methyloxan-3-ol?
The canonical SMILES for (2R,3S,4R,6R)-2,4-dimethoxy-6-methyloxan-3-ol is CO[C@@H]1O[C@H](C)C[C@@H](OC)[C@@H]1O.
What is the InChIKey of (2R,3S,4R,6R)-2,4-dimethoxy-6-methyloxan-3-ol?
The InChIKey is LOYFMRVEBZCEAP-OOJXKGFFSA-N. The full InChI is InChI=1S/C8H16O4/c1-5-4-6(10-2)7(9)8(11-3)12-5/h5-9H,4H2,1-3H3/t5-,6-,7+,8-/m1/s1.
What are the key properties of (2R,3S,4R,6R)-2,4-dimethoxy-6-methyloxan-3-ol?
(2R,3S,4R,6R)-2,4-dimethoxy-6-methyloxan-3-ol has a molecular weight of 176.21 g/mol, XLogP of 0.14, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R,6R)-2,4-dimethoxy-6-methyloxan-3-ol is sourced from PubChem (CID 130927435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).