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

C8H16O4 — CID 10866852

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

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

(2S,3S,4R,6R)-2,3-dimethoxy-6-methyloxan-4-ol (PubChem CID 10866852) has the molecular formula C8H16O4 and a molecular weight of 176.21 g/mol. Its IUPAC name is (2S,3S,4R,6R)-2,3-dimethoxy-6-methyloxan-4-ol.

Molecular Properties

Compound Name(2S,3S,4R,6R)-2,3-dimethoxy-6-methyloxan-4-ol
PubChem CID10866852
Molecular FormulaC8H16O4
Molecular Weight176.21 g/mol
Exact Mass176.10
IUPAC Name(2S,3S,4R,6R)-2,3-dimethoxy-6-methyloxan-4-ol
SMILESCO[C@H]1O[C@H](C)C[C@@H](O)[C@@H]1OC
InChIInChI=1S/C8H16O4/c1-5-4-6(9)7(10-2)8(11-3)12-5/h5-9H,4H2,1-3H3/t5-,6-,7+,8+/m1/s1
InChIKeyJAMGPTZSZDCYIG-NGJRWZKOSA-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

[(2S,3R,4R)-4-hydroxy-2-methoxy-6-methyloxan-3-yl] benzoate
CID 69240332
(2R,3S,4R,6R)-2,4-dimethoxy-6-methyloxan-3-ol
CID 130927435
(2R,3R,4S)-3-methoxy-2-(methoxymethyl)-6-methyloxan-4-ol
CID 174116775
4-ethyl-2-methoxy-6-methyloxan-3-ol
CID 123374127
(2S,4S,5R,6S)-5-methoxy-6-methyloxane-2,4-diol
CID 21158721
(2R,3R,4S,5R,6S)-4,5,6-trimethoxy-2-methyloxan-3-ol
CID 13122553
(2S,5S)-2-methoxy-6-methyloxane-3,5-diol
CID 130896267
2-methoxy-6-methyl-4-morpholin-4-yloxan-3-ol
CID 143438871
(2S,3R,5S)-2,5-dimethoxyoxolan-3-ol
CID 99988447
(2R,4R)-3,4-dimethoxy-6-methyloxan-2-ol
CID 129044548
2,3,4,5,6-pentamethoxyoxane
CID 568209
(2R,3R,4R,6R)-6-methyloxane-2,3,4-triol
CID 131039389

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4R,6R)-2,3-dimethoxy-6-methyloxan-4-ol?
The IUPAC name of (2S,3S,4R,6R)-2,3-dimethoxy-6-methyloxan-4-ol (CID 10866852) is (2S,3S,4R,6R)-2,3-dimethoxy-6-methyloxan-4-ol.
What is the SMILES notation for (2S,3S,4R,6R)-2,3-dimethoxy-6-methyloxan-4-ol?
The canonical SMILES for (2S,3S,4R,6R)-2,3-dimethoxy-6-methyloxan-4-ol is CO[C@H]1O[C@H](C)C[C@@H](O)[C@@H]1OC.
What is the InChIKey of (2S,3S,4R,6R)-2,3-dimethoxy-6-methyloxan-4-ol?
The InChIKey is JAMGPTZSZDCYIG-NGJRWZKOSA-N. The full InChI is InChI=1S/C8H16O4/c1-5-4-6(9)7(10-2)8(11-3)12-5/h5-9H,4H2,1-3H3/t5-,6-,7+,8+/m1/s1.
What are the key properties of (2S,3S,4R,6R)-2,3-dimethoxy-6-methyloxan-4-ol?
(2S,3S,4R,6R)-2,3-dimethoxy-6-methyloxan-4-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 (2S,3S,4R,6R)-2,3-dimethoxy-6-methyloxan-4-ol is sourced from PubChem (CID 10866852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).