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

C8H17NO3 — CID 89217462

IUPAC(2R,3S,6R)-4-(dimethylamino)-6-methyloxane-2,3-diol
SMILESC[C@@H]1CC(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-SNYGBICDSA-N
MW175.23 g/mol
LogP-0.60
Rot. Bonds1

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

(2R,3S,6R)-4-(dimethylamino)-6-methyloxane-2,3-diol (PubChem CID 89217462) has the molecular formula C8H17NO3 and a molecular weight of 175.23 g/mol. Its IUPAC name is (2R,3S,6R)-4-(dimethylamino)-6-methyloxane-2,3-diol.

Molecular Properties

Compound Name(2R,3S,6R)-4-(dimethylamino)-6-methyloxane-2,3-diol
PubChem CID89217462
Molecular FormulaC8H17NO3
Molecular Weight175.23 g/mol
Exact Mass175.12
IUPAC Name(2R,3S,6R)-4-(dimethylamino)-6-methyloxane-2,3-diol
SMILESC[C@@H]1CC(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-SNYGBICDSA-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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Related Compounds

[(3R,4S,6R)-4-(dimethylamino)-2-hydroxy-6-methyloxan-3-yl] hypoiodite
CID 134302754
(2R,3R,4S,6R)-4-(dimethylamino)-3-methoxy-6-methyloxan-2-ol;ethane
CID 145399800
(2R,4S,6R)-4-(dimethylamino)-2-hydroxy-6-methyloxane-3-carbaldehyde
CID 142966665
4-(dimethylamino)-6-methyl-2-[(2-methylpropan-2-yl)oxy]oxan-3-ol
CID 67952449
(2R,3R,4S,6S)-6-methyloxane-2,3,4-triol
CID 26966621
(2R,3R,4R,6R)-6-methyloxane-2,3,4-triol
CID 131039389
4-(dimethylamino)-6-methyl-2-(2-methylbutan-2-yl)oxan-3-ol
CID 167098136
(2S,4S,5R,6R)-4-(dimethylamino)-6-methyloxane-2,5-diol
CID 57130951
(2S,4R,5R,6S)-4-(dimethylamino)-6-methyloxane-2,5-diol
CID 90658743
(2R)-4-(dibenzylamino)-6-methyloxane-2,3-diol
CID 140863633
(3R,4S,6R)-N,N,2,3,6-pentamethyloxan-4-amine
CID 143366374
(6R)-4-(dimethylamino)-2-(6-hydroxycyclotridecyl)oxy-6-methyloxan-3-ol
CID 67068127

Frequently Asked Questions

What is the IUPAC name of (2R,3S,6R)-4-(dimethylamino)-6-methyloxane-2,3-diol?
The IUPAC name of (2R,3S,6R)-4-(dimethylamino)-6-methyloxane-2,3-diol (CID 89217462) is (2R,3S,6R)-4-(dimethylamino)-6-methyloxane-2,3-diol.
What is the SMILES notation for (2R,3S,6R)-4-(dimethylamino)-6-methyloxane-2,3-diol?
The canonical SMILES for (2R,3S,6R)-4-(dimethylamino)-6-methyloxane-2,3-diol is C[C@@H]1CC(N(C)C)[C@H](O)[C@H](O)O1.
What is the InChIKey of (2R,3S,6R)-4-(dimethylamino)-6-methyloxane-2,3-diol?
The InChIKey is ZOYWWAGVGBSJDL-SNYGBICDSA-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 (2R,3S,6R)-4-(dimethylamino)-6-methyloxane-2,3-diol?
(2R,3S,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 (2R,3S,6R)-4-(dimethylamino)-6-methyloxane-2,3-diol is sourced from PubChem (CID 89217462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).