(2S,3S,4R,6R)-4-(dimethylamino)-2-ethoxy-6-methyloxane-3,5-diol

C10H21NO4 — CID 134847409

IUPAC(2S,3S,4R,6R)-4-(dimethylamino)-2-ethoxy-6-methyloxane-3,5-diol
SMILESCCO[C@H]1O[C@H](C)C(O)[C@@H](N(C)C)[C@@H]1O
InChIInChI=1S/C10H21NO4/c1-5-14-10-9(13)7(11(3)4)8(12)6(2)15-10/h6-10,12-13H,5H2,1-4H3/t6-,7-,8?,9+,10+/m1/s1
InChIKeyOYJVQAGPZGWAQG-JDTCHFRJSA-N
MW219.28 g/mol
LogP-0.58
Rot. Bonds3

About (2S,3S,4R,6R)-4-(dimethylamino)-2-ethoxy-6-methyloxane-3,5-diol

(2S,3S,4R,6R)-4-(dimethylamino)-2-ethoxy-6-methyloxane-3,5-diol (PubChem CID 134847409) has the molecular formula C10H21NO4 and a molecular weight of 219.28 g/mol. Its IUPAC name is (2S,3S,4R,6R)-4-(dimethylamino)-2-ethoxy-6-methyloxane-3,5-diol.

Molecular Properties

Compound Name(2S,3S,4R,6R)-4-(dimethylamino)-2-ethoxy-6-methyloxane-3,5-diol
PubChem CID134847409
Molecular FormulaC10H21NO4
Molecular Weight219.28 g/mol
Exact Mass219.15
IUPAC Name(2S,3S,4R,6R)-4-(dimethylamino)-2-ethoxy-6-methyloxane-3,5-diol
SMILESCCO[C@H]1O[C@H](C)C(O)[C@@H](N(C)C)[C@@H]1O
InChIInChI=1S/C10H21NO4/c1-5-14-10-9(13)7(11(3)4)8(12)6(2)15-10/h6-10,12-13H,5H2,1-4H3/t6-,7-,8?,9+,10+/m1/s1
InChIKeyOYJVQAGPZGWAQG-JDTCHFRJSA-N
XLogP-0.58
TPSA62.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 5-0.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S,3S,4R,6R)-4-(dimethylamino)-2-ethoxy-6-methyloxane-3,5-diol with MolForge

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Related Compounds

6-ethoxy-2,5-dimethyloxane-3,4-diol
CID 159419325
(3S,4R,5R,6R)-4-(dimethylamino)-6-methyloxane-2,3,5-triol
CID 130905906
(3R,4S,5S,6R)-5-(dimethylamino)-2-methoxy-6-methyloxane-3,4-diol
CID 22887281
2-ethoxy-5-(hydroxymethyl)oxolane-3,4-diol
CID 548249
(2S,3S,5R)-2-(aminomethoxy)-6-methyloxane-3,4,5-triol
CID 90276853
(2R,3R,4R,5R)-2-ethoxy-5-(hydroxymethyl)oxolane-3,4-diol
CID 14353032
(2S,5S)-2-ethoxy-6-ethyloxane-3,4,5-triol
CID 167273619
(3R,4R,5S)-5-[(2S,3R,4S,5S,6R)-3,5-dimethoxy-4,6-dimethyloxan-2-yl]oxy-4-(dimethylamino)-2,6-dimethyloxan-3-ol
CID 118517821
(2R,3R,4S,5R,6R)-2-heptoxy-6-methyloxane-3,4,5-triol
CID 102241828
(3S,4R,5S,6S)-2-dodecoxy-6-methyloxane-3,4,5-triol
CID 90849789
(2R,3S)-2,3-diethoxyoxirane
CID 10701862
(2R,5R)-2-ethoxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 121419897

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4R,6R)-4-(dimethylamino)-2-ethoxy-6-methyloxane-3,5-diol?
The IUPAC name of (2S,3S,4R,6R)-4-(dimethylamino)-2-ethoxy-6-methyloxane-3,5-diol (CID 134847409) is (2S,3S,4R,6R)-4-(dimethylamino)-2-ethoxy-6-methyloxane-3,5-diol.
What is the SMILES notation for (2S,3S,4R,6R)-4-(dimethylamino)-2-ethoxy-6-methyloxane-3,5-diol?
The canonical SMILES for (2S,3S,4R,6R)-4-(dimethylamino)-2-ethoxy-6-methyloxane-3,5-diol is CCO[C@H]1O[C@H](C)C(O)[C@@H](N(C)C)[C@@H]1O.
What is the InChIKey of (2S,3S,4R,6R)-4-(dimethylamino)-2-ethoxy-6-methyloxane-3,5-diol?
The InChIKey is OYJVQAGPZGWAQG-JDTCHFRJSA-N. The full InChI is InChI=1S/C10H21NO4/c1-5-14-10-9(13)7(11(3)4)8(12)6(2)15-10/h6-10,12-13H,5H2,1-4H3/t6-,7-,8?,9+,10+/m1/s1.
What are the key properties of (2S,3S,4R,6R)-4-(dimethylamino)-2-ethoxy-6-methyloxane-3,5-diol?
(2S,3S,4R,6R)-4-(dimethylamino)-2-ethoxy-6-methyloxane-3,5-diol has a molecular weight of 219.28 g/mol, XLogP of -0.58, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4R,6R)-4-(dimethylamino)-2-ethoxy-6-methyloxane-3,5-diol is sourced from PubChem (CID 134847409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).