(2R,3S,5R,6S)-2-(hydroxymethyl)-6-methoxy-5-methyloxan-3-ol

C8H16O4 — CID 11137649

IUPAC(2R,3S,5R,6S)-2-(hydroxymethyl)-6-methoxy-5-methyloxan-3-ol
SMILESCO[C@H]1O[C@H](CO)[C@@H](O)C[C@H]1C
InChIInChI=1S/C8H16O4/c1-5-3-6(10)7(4-9)12-8(5)11-2/h5-10H,3-4H2,1-2H3/t5-,6+,7-,8+/m1/s1
InChIKeyQMWQTXBSGJIQHI-CWKFCGSDSA-N
MW176.21 g/mol
LogP-0.26
Rot. Bonds2

About (2R,3S,5R,6S)-2-(hydroxymethyl)-6-methoxy-5-methyloxan-3-ol

(2R,3S,5R,6S)-2-(hydroxymethyl)-6-methoxy-5-methyloxan-3-ol (PubChem CID 11137649) has the molecular formula C8H16O4 and a molecular weight of 176.21 g/mol. Its IUPAC name is (2R,3S,5R,6S)-2-(hydroxymethyl)-6-methoxy-5-methyloxan-3-ol.

Molecular Properties

Compound Name(2R,3S,5R,6S)-2-(hydroxymethyl)-6-methoxy-5-methyloxan-3-ol
PubChem CID11137649
Molecular FormulaC8H16O4
Molecular Weight176.21 g/mol
Exact Mass176.10
IUPAC Name(2R,3S,5R,6S)-2-(hydroxymethyl)-6-methoxy-5-methyloxan-3-ol
SMILESCO[C@H]1O[C@H](CO)[C@@H](O)C[C@H]1C
InChIInChI=1S/C8H16O4/c1-5-3-6(10)7(4-9)12-8(5)11-2/h5-10H,3-4H2,1-2H3/t5-,6+,7-,8+/m1/s1
InChIKeyQMWQTXBSGJIQHI-CWKFCGSDSA-N
XLogP-0.26
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.21
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-6-methoxy-5-methyloxan-3-ol
CID 91204206
6-(hydroxymethyl)-2,5-dimethoxyoxan-3-ol
CID 146226308
(2R,3S,5R,6S)-2-(hydroxymethyl)-6-methoxy-5-prop-2-enoxyoxan-3-ol
CID 170851169
[(2S,3S,5R,6R)-3-(hydroxymethyl)-5,6-dimethoxy-1,4-dioxan-2-yl]methanol
CID 166639551
6-(hydroxymethyl)-2,5-dimethoxyoxane-3,4-diol;methane
CID 163618143
(2S,3R,5R)-2-(hydroxymethyl)-5-methyloxolan-3-ol
CID 59795765
(2R)-2-(hydroxymethyl)-5-methyloxolan-3-ol
CID 88979913
2-ethoxy-6-(hydroxymethyl)oxane-3,5-diol
CID 18974249
(2R,3R,4S,5S)-2-(hydroxymethyl)-5-methoxyoxolane-3,4-diol
CID 12889250
(2R,3S,4R,5S)-2-(hydroxymethyl)-5-methoxyoxolane-3,4-diol
CID 12889245
(2R,3S,4R)-2-(hydroxymethyl)-5-methoxyoxolane-3,4-diol
CID 11789546
(2S,3S,4S)-2-(hydroxymethyl)-5-methoxyoxolane-3,4-diol
CID 12042993

Frequently Asked Questions

What is the IUPAC name of (2R,3S,5R,6S)-2-(hydroxymethyl)-6-methoxy-5-methyloxan-3-ol?
The IUPAC name of (2R,3S,5R,6S)-2-(hydroxymethyl)-6-methoxy-5-methyloxan-3-ol (CID 11137649) is (2R,3S,5R,6S)-2-(hydroxymethyl)-6-methoxy-5-methyloxan-3-ol.
What is the SMILES notation for (2R,3S,5R,6S)-2-(hydroxymethyl)-6-methoxy-5-methyloxan-3-ol?
The canonical SMILES for (2R,3S,5R,6S)-2-(hydroxymethyl)-6-methoxy-5-methyloxan-3-ol is CO[C@H]1O[C@H](CO)[C@@H](O)C[C@H]1C.
What is the InChIKey of (2R,3S,5R,6S)-2-(hydroxymethyl)-6-methoxy-5-methyloxan-3-ol?
The InChIKey is QMWQTXBSGJIQHI-CWKFCGSDSA-N. The full InChI is InChI=1S/C8H16O4/c1-5-3-6(10)7(4-9)12-8(5)11-2/h5-10H,3-4H2,1-2H3/t5-,6+,7-,8+/m1/s1.
What are the key properties of (2R,3S,5R,6S)-2-(hydroxymethyl)-6-methoxy-5-methyloxan-3-ol?
(2R,3S,5R,6S)-2-(hydroxymethyl)-6-methoxy-5-methyloxan-3-ol has a molecular weight of 176.21 g/mol, XLogP of -0.26, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,5R,6S)-2-(hydroxymethyl)-6-methoxy-5-methyloxan-3-ol is sourced from PubChem (CID 11137649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).