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

C8H16O4 — CID 121426281

IUPAC(3R,4R)-2-(hydroxymethyl)-5,6-dimethyloxane-3,4-diol
SMILESCC1OC(CO)[C@H](O)[C@H](O)C1C
InChIInChI=1S/C8H16O4/c1-4-5(2)12-6(3-9)8(11)7(4)10/h4-11H,3H2,1-2H3/t4?,5?,6?,7-,8+/m1/s1
InChIKeyLTBQNATWEMHOJX-KVUYBKPXSA-N
MW176.21 g/mol
LogP-0.88
Rot. Bonds1

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

(3R,4R)-2-(hydroxymethyl)-5,6-dimethyloxane-3,4-diol (PubChem CID 121426281) has the molecular formula C8H16O4 and a molecular weight of 176.21 g/mol. Its IUPAC name is (3R,4R)-2-(hydroxymethyl)-5,6-dimethyloxane-3,4-diol.

Molecular Properties

Compound Name(3R,4R)-2-(hydroxymethyl)-5,6-dimethyloxane-3,4-diol
PubChem CID121426281
Molecular FormulaC8H16O4
Molecular Weight176.21 g/mol
Exact Mass176.10
IUPAC Name(3R,4R)-2-(hydroxymethyl)-5,6-dimethyloxane-3,4-diol
SMILESCC1OC(CO)[C@H](O)[C@H](O)C1C
InChIInChI=1S/C8H16O4/c1-4-5(2)12-6(3-9)8(11)7(4)10/h4-11H,3H2,1-2H3/t4?,5?,6?,7-,8+/m1/s1
InChIKeyLTBQNATWEMHOJX-KVUYBKPXSA-N
XLogP-0.88
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 ≤ 5-0.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3S,4S,5S)-2-(hydroxymethyl)-5,6-dimethyloxane-3,4-diol
CID 122527518
ethane;2-(hydroxymethyl)-5,6-dimethyloxane-3,4-diol
CID 144927729
2-(hydroxymethyl)-3,5,6-trimethyloxan-4-ol
CID 22983061
(3S,4R)-2-(hydroxymethyl)-5-methyloxolane-3,4-diol
CID 59039787
(2S,3R,4S,5R)-2-(hydroxymethyl)-5-methyloxolane-3,4-diol
CID 59795634
(3S,4S)-2-(hydroxymethyl)-5-methyloxolane-3,4-diol
CID 146299921
(2R,4R,5R)-2-(hydroxymethyl)-5-methyloxolane-3,4-diol
CID 157377669
(2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-methyloxane-3,4,5-triol
CID 118332787
(3R,4R,6R)-2-(hydroxymethyl)-6-methyloxane-3,4,5-triol
CID 67472419
(3R,4S,6S)-2-(hydroxymethyl)-6-methyloxane-3,4,5-triol
CID 89126966
(2R,3R,4R,5R,6R)-2-(hydroxymethyl)-6-methyloxane-3,4,5-triol
CID 59116084
(4R,5R)-2-(hydroxymethyl)-6-methyloxane-3,4,5-triol
CID 143617458

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-2-(hydroxymethyl)-5,6-dimethyloxane-3,4-diol?
The IUPAC name of (3R,4R)-2-(hydroxymethyl)-5,6-dimethyloxane-3,4-diol (CID 121426281) is (3R,4R)-2-(hydroxymethyl)-5,6-dimethyloxane-3,4-diol.
What is the SMILES notation for (3R,4R)-2-(hydroxymethyl)-5,6-dimethyloxane-3,4-diol?
The canonical SMILES for (3R,4R)-2-(hydroxymethyl)-5,6-dimethyloxane-3,4-diol is CC1OC(CO)[C@H](O)[C@H](O)C1C.
What is the InChIKey of (3R,4R)-2-(hydroxymethyl)-5,6-dimethyloxane-3,4-diol?
The InChIKey is LTBQNATWEMHOJX-KVUYBKPXSA-N. The full InChI is InChI=1S/C8H16O4/c1-4-5(2)12-6(3-9)8(11)7(4)10/h4-11H,3H2,1-2H3/t4?,5?,6?,7-,8+/m1/s1.
What are the key properties of (3R,4R)-2-(hydroxymethyl)-5,6-dimethyloxane-3,4-diol?
(3R,4R)-2-(hydroxymethyl)-5,6-dimethyloxane-3,4-diol has a molecular weight of 176.21 g/mol, XLogP of -0.88, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-2-(hydroxymethyl)-5,6-dimethyloxane-3,4-diol is sourced from PubChem (CID 121426281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).