(2R,3R,6R)-2-(hydroxymethyl)-6-methoxy-4-methyloxan-3-ol

C8H16O4 — CID 147159840

IUPAC(2R,3R,6R)-2-(hydroxymethyl)-6-methoxy-4-methyloxan-3-ol
SMILESCO[C@H]1CC(C)[C@@H](O)[C@@H](CO)O1
InChIInChI=1S/C8H16O4/c1-5-3-7(11-2)12-6(4-9)8(5)10/h5-10H,3-4H2,1-2H3/t5?,6-,7-,8-/m1/s1
InChIKeyBVPUXWGPLNHPMV-UIYHXYAWSA-N
MW176.21 g/mol
LogP-0.26
Rot. Bonds2

About (2R,3R,6R)-2-(hydroxymethyl)-6-methoxy-4-methyloxan-3-ol

(2R,3R,6R)-2-(hydroxymethyl)-6-methoxy-4-methyloxan-3-ol (PubChem CID 147159840) has the molecular formula C8H16O4 and a molecular weight of 176.21 g/mol. Its IUPAC name is (2R,3R,6R)-2-(hydroxymethyl)-6-methoxy-4-methyloxan-3-ol.

Molecular Properties

Compound Name(2R,3R,6R)-2-(hydroxymethyl)-6-methoxy-4-methyloxan-3-ol
PubChem CID147159840
Molecular FormulaC8H16O4
Molecular Weight176.21 g/mol
Exact Mass176.10
IUPAC Name(2R,3R,6R)-2-(hydroxymethyl)-6-methoxy-4-methyloxan-3-ol
SMILESCO[C@H]1CC(C)[C@@H](O)[C@@H](CO)O1
InChIInChI=1S/C8H16O4/c1-5-3-7(11-2)12-6(4-9)8(5)10/h5-10H,3-4H2,1-2H3/t5?,6-,7-,8-/m1/s1
InChIKeyBVPUXWGPLNHPMV-UIYHXYAWSA-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

Analyze (2R,3R,6R)-2-(hydroxymethyl)-6-methoxy-4-methyloxan-3-ol with MolForge

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Related Compounds

(3S,4S,6R)-2-(hydroxymethyl)-6-methoxyoxane-3,4-diol
CID 58863017
(2R,3S,4S,6R)-4-amino-2-(hydroxymethyl)-6-methoxyoxan-3-ol
CID 101213887
(2R,3S,4R,6R)-4-amino-2-(hydroxymethyl)-6-methoxyoxan-3-ol
CID 101213890
6-methoxy-2,4-dimethyloxan-3-ol
CID 58831559
[(2S,3R,5R)-2-(hydroxymethyl)-5-methoxyoxolan-3-yl]methanol
CID 70296573
ethane;(2S,5S)-6-(hydroxymethyl)-4-methyloxane-2,5-diol
CID 156740552
[(2R,3S,4R,6S)-4-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl] hypoiodite
CID 142600377
N-[(2R,3S,4S,6S)-3-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl]acetamide
CID 101213894
(4R,5S)-6-(hydroxymethyl)-5-methoxy-2-methyloxane-3,4-diol
CID 122579164
(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);(2R,4R,5S)-5-methoxy-2,6-dimethyloxane-3,4-diol
CID 157104198
(2S,3S,5S)-2-ethyl-5-methoxyoxolan-3-ol
CID 158313772

Frequently Asked Questions

What is the IUPAC name of (2R,3R,6R)-2-(hydroxymethyl)-6-methoxy-4-methyloxan-3-ol?
The IUPAC name of (2R,3R,6R)-2-(hydroxymethyl)-6-methoxy-4-methyloxan-3-ol (CID 147159840) is (2R,3R,6R)-2-(hydroxymethyl)-6-methoxy-4-methyloxan-3-ol.
What is the SMILES notation for (2R,3R,6R)-2-(hydroxymethyl)-6-methoxy-4-methyloxan-3-ol?
The canonical SMILES for (2R,3R,6R)-2-(hydroxymethyl)-6-methoxy-4-methyloxan-3-ol is CO[C@H]1CC(C)[C@@H](O)[C@@H](CO)O1.
What is the InChIKey of (2R,3R,6R)-2-(hydroxymethyl)-6-methoxy-4-methyloxan-3-ol?
The InChIKey is BVPUXWGPLNHPMV-UIYHXYAWSA-N. The full InChI is InChI=1S/C8H16O4/c1-5-3-7(11-2)12-6(4-9)8(5)10/h5-10H,3-4H2,1-2H3/t5?,6-,7-,8-/m1/s1.
What are the key properties of (2R,3R,6R)-2-(hydroxymethyl)-6-methoxy-4-methyloxan-3-ol?
(2R,3R,6R)-2-(hydroxymethyl)-6-methoxy-4-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,3R,6R)-2-(hydroxymethyl)-6-methoxy-4-methyloxan-3-ol is sourced from PubChem (CID 147159840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).