4-(dimethylamino)oxane-2,3,5-triol

C7H15NO4 — CID 123166220

IUPAC4-(dimethylamino)oxane-2,3,5-triol
SMILESCN(C)C1C(O)COC(O)C1O
InChIInChI=1S/C7H15NO4/c1-8(2)5-4(9)3-12-7(11)6(5)10/h4-7,9-11H,3H2,1-2H3
InChIKeyOUDVNTCOLCNHLV-UHFFFAOYSA-N
MW177.20 g/mol
LogP-2.01
Rot. Bonds1

About 4-(dimethylamino)oxane-2,3,5-triol

4-(dimethylamino)oxane-2,3,5-triol (PubChem CID 123166220) has the molecular formula C7H15NO4 and a molecular weight of 177.20 g/mol. Its IUPAC name is 4-(dimethylamino)oxane-2,3,5-triol.

Molecular Properties

Compound Name4-(dimethylamino)oxane-2,3,5-triol
PubChem CID123166220
Molecular FormulaC7H15NO4
Molecular Weight177.20 g/mol
Exact Mass177.10
IUPAC Name4-(dimethylamino)oxane-2,3,5-triol
SMILESCN(C)C1C(O)COC(O)C1O
InChIInChI=1S/C7H15NO4/c1-8(2)5-4(9)3-12-7(11)6(5)10/h4-7,9-11H,3H2,1-2H3
InChIKeyOUDVNTCOLCNHLV-UHFFFAOYSA-N
XLogP-2.01
TPSA73.16 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 5-2.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(4S,5R)-oxane-2,3,4,5-tetrol
CID 71313478
(2S,3S,4S)-oxolane-2,3,4-triol
CID 10464337
(3S,4R)-(313C)oxolane-2,3,4-triol
CID 90472722
(4S)-oxane-2,3,4,5-tetrol
CID 135265936
(2R,3R,4R,5S)-4-(methylamino)oxane-2,3,5-triol
CID 162991407
(3R,4R,5R)-4-aminooxane-2,3,5-triol
CID 131196002
(2S,3S,4R,5S)-4-aminooxane-2,3,5-triol
CID 93493392
(1R,2S,3S,4S)-2-(dimethylamino)-4-methoxycyclohexane-1,3-diol
CID 23266363
(3S,4R,5R,6R)-4-(dimethylamino)-6-methyloxane-2,3,5-triol
CID 130905906
5-methoxyoxane-2,3,4-triol
CID 560177
4-(dimethylamino)oxane-2,3-diol
CID 130125809
(2S,3R,4S,5R)-3-aminooxane-2,4,5-triol
CID 55289046

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)oxane-2,3,5-triol?
The IUPAC name of 4-(dimethylamino)oxane-2,3,5-triol (CID 123166220) is 4-(dimethylamino)oxane-2,3,5-triol.
What is the SMILES notation for 4-(dimethylamino)oxane-2,3,5-triol?
The canonical SMILES for 4-(dimethylamino)oxane-2,3,5-triol is CN(C)C1C(O)COC(O)C1O.
What is the InChIKey of 4-(dimethylamino)oxane-2,3,5-triol?
The InChIKey is OUDVNTCOLCNHLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO4/c1-8(2)5-4(9)3-12-7(11)6(5)10/h4-7,9-11H,3H2,1-2H3.
What are the key properties of 4-(dimethylamino)oxane-2,3,5-triol?
4-(dimethylamino)oxane-2,3,5-triol has a molecular weight of 177.20 g/mol, XLogP of -2.01, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)oxane-2,3,5-triol is sourced from PubChem (CID 123166220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).