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

C8H17NO4 — CID 130905906

IUPAC(3S,4R,5R,6R)-4-(dimethylamino)-6-methyloxane-2,3,5-triol
SMILESC[C@H]1OC(O)[C@@H](O)[C@H](N(C)C)[C@H]1O
InChIInChI=1S/C8H17NO4/c1-4-6(10)5(9(2)3)7(11)8(12)13-4/h4-8,10-12H,1-3H3/t4-,5-,6+,7+,8?/m1/s1
InChIKeyDIOQKPOBSJVSJS-WZPXOXCRSA-N
MW191.23 g/mol
LogP-1.62
Rot. Bonds1

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

(3S,4R,5R,6R)-4-(dimethylamino)-6-methyloxane-2,3,5-triol (PubChem CID 130905906) has the molecular formula C8H17NO4 and a molecular weight of 191.23 g/mol. Its IUPAC name is (3S,4R,5R,6R)-4-(dimethylamino)-6-methyloxane-2,3,5-triol.

Molecular Properties

Compound Name(3S,4R,5R,6R)-4-(dimethylamino)-6-methyloxane-2,3,5-triol
PubChem CID130905906
Molecular FormulaC8H17NO4
Molecular Weight191.23 g/mol
Exact Mass191.12
IUPAC Name(3S,4R,5R,6R)-4-(dimethylamino)-6-methyloxane-2,3,5-triol
SMILESC[C@H]1OC(O)[C@@H](O)[C@H](N(C)C)[C@H]1O
InChIInChI=1S/C8H17NO4/c1-4-6(10)5(9(2)3)7(11)8(12)13-4/h4-8,10-12H,1-3H3/t4-,5-,6+,7+,8?/m1/s1
InChIKeyDIOQKPOBSJVSJS-WZPXOXCRSA-N
XLogP-1.62
TPSA73.16 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 5-1.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

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Related Compounds

(3R)-5-methyloxolane-2,3,4-triol
CID 59335588
(3S,4R,5S,6S)-6-methyl(213C)oxane-2,3,4,5-tetrol
CID 101369112
(2R,3R,4S,5R,6R)-6-methyloxane-2,3,4,5-tetrol;(2R,3S,4R,5S,6S)-6-methyloxane-2,3,4,5-tetrol
CID 129314639
CID 171369816
CID 171369816
(3S,4R,5R)-6-methyloxane-2,3,4,5-tetrol
CID 59897521
(3R,4R,5R,6S)-6-methyl(213C)oxane-2,3,4,5-tetrol
CID 90472741
(2S,3S,4R,6R)-4-(dimethylamino)-2-ethoxy-6-methyloxane-3,5-diol
CID 134847409
(3R,4R,5R,6R)-6-methyloxane-2,3,4,5-tetrol;hydrate
CID 135391148
6-methyl-1,3-dioxane-2,4,5-triol
CID 163702397
(3R,4S,5S,6R)-5-(dimethylamino)-2-methoxy-6-methyloxane-3,4-diol
CID 22887281
2,4,6-tris(dimethylamino)cyclohexane-1,3,5-triol;dihydrate;trihydrochloride
CID 173394267
(3R,4S,5S,6R)-4-methoxy-6-methyloxane-2,3,5-triol
CID 15558282

Frequently Asked Questions

What is the IUPAC name of (3S,4R,5R,6R)-4-(dimethylamino)-6-methyloxane-2,3,5-triol?
The IUPAC name of (3S,4R,5R,6R)-4-(dimethylamino)-6-methyloxane-2,3,5-triol (CID 130905906) is (3S,4R,5R,6R)-4-(dimethylamino)-6-methyloxane-2,3,5-triol.
What is the SMILES notation for (3S,4R,5R,6R)-4-(dimethylamino)-6-methyloxane-2,3,5-triol?
The canonical SMILES for (3S,4R,5R,6R)-4-(dimethylamino)-6-methyloxane-2,3,5-triol is C[C@H]1OC(O)[C@@H](O)[C@H](N(C)C)[C@H]1O.
What is the InChIKey of (3S,4R,5R,6R)-4-(dimethylamino)-6-methyloxane-2,3,5-triol?
The InChIKey is DIOQKPOBSJVSJS-WZPXOXCRSA-N. The full InChI is InChI=1S/C8H17NO4/c1-4-6(10)5(9(2)3)7(11)8(12)13-4/h4-8,10-12H,1-3H3/t4-,5-,6+,7+,8?/m1/s1.
What are the key properties of (3S,4R,5R,6R)-4-(dimethylamino)-6-methyloxane-2,3,5-triol?
(3S,4R,5R,6R)-4-(dimethylamino)-6-methyloxane-2,3,5-triol has a molecular weight of 191.23 g/mol, XLogP of -1.62, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R,5R,6R)-4-(dimethylamino)-6-methyloxane-2,3,5-triol is sourced from PubChem (CID 130905906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).