(2S,3R,4S,6R)-4-(dimethylamino)-6-methyloxane-2,3-diol

C8H17NO3 — CID 11344295

IUPAC(2S,3R,4S,6R)-4-(dimethylamino)-6-methyloxane-2,3-diol
SMILESC[C@@H]1C[C@H](N(C)C)[C@@H](O)[C@@H](O)O1
InChIInChI=1S/C8H17NO3/c1-5-4-6(9(2)3)7(10)8(11)12-5/h5-8,10-11H,4H2,1-3H3/t5-,6+,7-,8+/m1/s1
InChIKeyZOYWWAGVGBSJDL-CWKFCGSDSA-N
MW175.23 g/mol
LogP-0.60
Rot. Bonds1

About (2S,3R,4S,6R)-4-(dimethylamino)-6-methyloxane-2,3-diol

(2S,3R,4S,6R)-4-(dimethylamino)-6-methyloxane-2,3-diol (PubChem CID 11344295) has the molecular formula C8H17NO3 and a molecular weight of 175.23 g/mol. Its IUPAC name is (2S,3R,4S,6R)-4-(dimethylamino)-6-methyloxane-2,3-diol.

Molecular Properties

Compound Name(2S,3R,4S,6R)-4-(dimethylamino)-6-methyloxane-2,3-diol
PubChem CID11344295
Molecular FormulaC8H17NO3
Molecular Weight175.23 g/mol
Exact Mass175.12
IUPAC Name(2S,3R,4S,6R)-4-(dimethylamino)-6-methyloxane-2,3-diol
SMILESC[C@@H]1C[C@H](N(C)C)[C@@H](O)[C@@H](O)O1
InChIInChI=1S/C8H17NO3/c1-5-4-6(9(2)3)7(10)8(11)12-5/h5-8,10-11H,4H2,1-3H3/t5-,6+,7-,8+/m1/s1
InChIKeyZOYWWAGVGBSJDL-CWKFCGSDSA-N
XLogP-0.60
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 5-0.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S,6R)-4-(dimethylamino)-6-methyloxane-2,3-diol?
The IUPAC name of (2S,3R,4S,6R)-4-(dimethylamino)-6-methyloxane-2,3-diol (CID 11344295) is (2S,3R,4S,6R)-4-(dimethylamino)-6-methyloxane-2,3-diol.
What is the SMILES notation for (2S,3R,4S,6R)-4-(dimethylamino)-6-methyloxane-2,3-diol?
The canonical SMILES for (2S,3R,4S,6R)-4-(dimethylamino)-6-methyloxane-2,3-diol is C[C@@H]1C[C@H](N(C)C)[C@@H](O)[C@@H](O)O1.
What is the InChIKey of (2S,3R,4S,6R)-4-(dimethylamino)-6-methyloxane-2,3-diol?
The InChIKey is ZOYWWAGVGBSJDL-CWKFCGSDSA-N. The full InChI is InChI=1S/C8H17NO3/c1-5-4-6(9(2)3)7(10)8(11)12-5/h5-8,10-11H,4H2,1-3H3/t5-,6+,7-,8+/m1/s1.
What are the key properties of (2S,3R,4S,6R)-4-(dimethylamino)-6-methyloxane-2,3-diol?
(2S,3R,4S,6R)-4-(dimethylamino)-6-methyloxane-2,3-diol has a molecular weight of 175.23 g/mol, XLogP of -0.60, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S,6R)-4-(dimethylamino)-6-methyloxane-2,3-diol is sourced from PubChem (CID 11344295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).