(2S,3S,4R,5R)-6-(dimethylamino)oxane-2,3,4,5-tetrol

C7H15NO5 — CID 146324427

IUPAC(2S,3S,4R,5R)-6-(dimethylamino)oxane-2,3,4,5-tetrol
SMILESCN(C)C1O[C@H](O)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C7H15NO5/c1-8(2)6-4(10)3(9)5(11)7(12)13-6/h3-7,9-12H,1-2H3/t3-,4-,5+,6?,7+/m1/s1
InChIKeyPGGLMUMFZDDUCV-JSHBUCSXSA-N
MW193.20 g/mol
LogP-2.69
Rot. Bonds1

About (2S,3S,4R,5R)-6-(dimethylamino)oxane-2,3,4,5-tetrol

(2S,3S,4R,5R)-6-(dimethylamino)oxane-2,3,4,5-tetrol (PubChem CID 146324427) has the molecular formula C7H15NO5 and a molecular weight of 193.20 g/mol. Its IUPAC name is (2S,3S,4R,5R)-6-(dimethylamino)oxane-2,3,4,5-tetrol.

Molecular Properties

Compound Name(2S,3S,4R,5R)-6-(dimethylamino)oxane-2,3,4,5-tetrol
PubChem CID146324427
Molecular FormulaC7H15NO5
Molecular Weight193.20 g/mol
Exact Mass193.10
IUPAC Name(2S,3S,4R,5R)-6-(dimethylamino)oxane-2,3,4,5-tetrol
SMILESCN(C)C1O[C@H](O)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C7H15NO5/c1-8(2)6-4(10)3(9)5(11)7(12)13-6/h3-7,9-12H,1-2H3/t3-,4-,5+,6?,7+/m1/s1
InChIKeyPGGLMUMFZDDUCV-JSHBUCSXSA-N
XLogP-2.69
TPSA93.39 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 5-2.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

(3S,4S)-oxolane-2,3,4,5-tetrol
CID 89085944
CID 171369816
CID 171369816
(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
(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
(3R,4R,5R,6R)-6-methyloxane-2,3,4,5-tetrol;hydrate
CID 135391148
(3S,4R,5R,6R)-4-(dimethylamino)-6-methyloxane-2,3,5-triol
CID 130905906
(3R)-5-methyloxolane-2,3,4-triol
CID 59335588
(6R)-6-ethyloxane-2,3,4,5-tetrol
CID 59974126
(2R,5S)-6-ethyloxane-2,3,4,5-tetrol
CID 163614233
(2S,3R,4S,5S,6R)-6-ethyloxane-2,3,4,5-tetrol
CID 58340219

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4R,5R)-6-(dimethylamino)oxane-2,3,4,5-tetrol?
The IUPAC name of (2S,3S,4R,5R)-6-(dimethylamino)oxane-2,3,4,5-tetrol (CID 146324427) is (2S,3S,4R,5R)-6-(dimethylamino)oxane-2,3,4,5-tetrol.
What is the SMILES notation for (2S,3S,4R,5R)-6-(dimethylamino)oxane-2,3,4,5-tetrol?
The canonical SMILES for (2S,3S,4R,5R)-6-(dimethylamino)oxane-2,3,4,5-tetrol is CN(C)C1O[C@H](O)[C@@H](O)[C@H](O)[C@H]1O.
What is the InChIKey of (2S,3S,4R,5R)-6-(dimethylamino)oxane-2,3,4,5-tetrol?
The InChIKey is PGGLMUMFZDDUCV-JSHBUCSXSA-N. The full InChI is InChI=1S/C7H15NO5/c1-8(2)6-4(10)3(9)5(11)7(12)13-6/h3-7,9-12H,1-2H3/t3-,4-,5+,6?,7+/m1/s1.
What are the key properties of (2S,3S,4R,5R)-6-(dimethylamino)oxane-2,3,4,5-tetrol?
(2S,3S,4R,5R)-6-(dimethylamino)oxane-2,3,4,5-tetrol has a molecular weight of 193.20 g/mol, XLogP of -2.69, 1 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4R,5R)-6-(dimethylamino)oxane-2,3,4,5-tetrol is sourced from PubChem (CID 146324427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).