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

C8H16O4 — CID 90247742

IUPAC(3R,4S,5R,6R)-6-(hydroxymethyl)-3,4-dimethyloxane-2,5-diol
SMILESC[C@@H]1[C@@H](O)[C@@H](CO)OC(O)[C@@H]1C
InChIInChI=1S/C8H16O4/c1-4-5(2)8(11)12-6(3-9)7(4)10/h4-11H,3H2,1-2H3/t4-,5+,6+,7+,8?/m0/s1
InChIKeyDPIYHZMFAHFZRJ-IQMFPIFPSA-N
MW176.21 g/mol
LogP-0.67
Rot. Bonds1

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

(3R,4S,5R,6R)-6-(hydroxymethyl)-3,4-dimethyloxane-2,5-diol (PubChem CID 90247742) has the molecular formula C8H16O4 and a molecular weight of 176.21 g/mol. Its IUPAC name is (3R,4S,5R,6R)-6-(hydroxymethyl)-3,4-dimethyloxane-2,5-diol.

Molecular Properties

Compound Name(3R,4S,5R,6R)-6-(hydroxymethyl)-3,4-dimethyloxane-2,5-diol
PubChem CID90247742
Molecular FormulaC8H16O4
Molecular Weight176.21 g/mol
Exact Mass176.10
IUPAC Name(3R,4S,5R,6R)-6-(hydroxymethyl)-3,4-dimethyloxane-2,5-diol
SMILESC[C@@H]1[C@@H](O)[C@@H](CO)OC(O)[C@@H]1C
InChIInChI=1S/C8H16O4/c1-4-5(2)8(11)12-6(3-9)7(4)10/h4-11H,3H2,1-2H3/t4-,5+,6+,7+,8?/m0/s1
InChIKeyDPIYHZMFAHFZRJ-IQMFPIFPSA-N
XLogP-0.67
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.21
LogP ≤ 5-0.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,3R,5S)-6-(hydroxymethyl)-4-methyloxane-2,3,5-triol
CID 148775123
(4S,5R)-6-(hydroxymethyl)-3-methyloxane-2,4,5-triol
CID 90196477
(4R,6R)-6-(hydroxymethyl)-3-methyloxane-2,4,5-triol
CID 163424512
(2R,3S,4R,5R,6R)-6-(hydroxymethyl)-3,5-dimethyloxane-2,4-diol
CID 165082057
(2S)-4-(hydroxymethyl)oxetane-2,3-diol
CID 130341188
(3R)-5-(hydroxymethyl)oxolane-2,3,4-triol
CID 67790855
(2S,3S,5S)-5-(hydroxymethyl)oxolane-2,3,4-triol
CID 89313516
(2S,3R,4S,5R)-2,5-bis(hydroxymethyl)oxolane-3,4-diol
CID 69447261
(2S,3R,4R)-2,5-bis(hydroxymethyl)oxolane-3,4-diol
CID 173365188
(2R,3R)-2,5-bis(hydroxymethyl)oxolane-3,4-diol
CID 130395874
CID 90129061
CID 90129061
CID 147807924
CID 147807924

Frequently Asked Questions

What is the IUPAC name of (3R,4S,5R,6R)-6-(hydroxymethyl)-3,4-dimethyloxane-2,5-diol?
The IUPAC name of (3R,4S,5R,6R)-6-(hydroxymethyl)-3,4-dimethyloxane-2,5-diol (CID 90247742) is (3R,4S,5R,6R)-6-(hydroxymethyl)-3,4-dimethyloxane-2,5-diol.
What is the SMILES notation for (3R,4S,5R,6R)-6-(hydroxymethyl)-3,4-dimethyloxane-2,5-diol?
The canonical SMILES for (3R,4S,5R,6R)-6-(hydroxymethyl)-3,4-dimethyloxane-2,5-diol is C[C@@H]1[C@@H](O)[C@@H](CO)OC(O)[C@@H]1C.
What is the InChIKey of (3R,4S,5R,6R)-6-(hydroxymethyl)-3,4-dimethyloxane-2,5-diol?
The InChIKey is DPIYHZMFAHFZRJ-IQMFPIFPSA-N. The full InChI is InChI=1S/C8H16O4/c1-4-5(2)8(11)12-6(3-9)7(4)10/h4-11H,3H2,1-2H3/t4-,5+,6+,7+,8?/m0/s1.
What are the key properties of (3R,4S,5R,6R)-6-(hydroxymethyl)-3,4-dimethyloxane-2,5-diol?
(3R,4S,5R,6R)-6-(hydroxymethyl)-3,4-dimethyloxane-2,5-diol has a molecular weight of 176.21 g/mol, XLogP of -0.67, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,5R,6R)-6-(hydroxymethyl)-3,4-dimethyloxane-2,5-diol is sourced from PubChem (CID 90247742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).