(2S,3S,4R,5S,6S)-2-methyl-6-(methylamino)oxane-3,4,5-triol

C7H15NO4 — CID 145158354

IUPAC(2S,3S,4R,5S,6S)-2-methyl-6-(methylamino)oxane-3,4,5-triol
SMILESCN[C@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C7H15NO4/c1-3-4(9)5(10)6(11)7(8-2)12-3/h3-11H,1-2H3/t3-,4+,5+,6-,7-/m0/s1
InChIKeySQIWPGJBMMLQLA-XUVCUMPTSA-N
MW177.20 g/mol
LogP-1.97
Rot. Bonds1

About (2S,3S,4R,5S,6S)-2-methyl-6-(methylamino)oxane-3,4,5-triol

(2S,3S,4R,5S,6S)-2-methyl-6-(methylamino)oxane-3,4,5-triol (PubChem CID 145158354) has the molecular formula C7H15NO4 and a molecular weight of 177.20 g/mol. Its IUPAC name is (2S,3S,4R,5S,6S)-2-methyl-6-(methylamino)oxane-3,4,5-triol.

Molecular Properties

Compound Name(2S,3S,4R,5S,6S)-2-methyl-6-(methylamino)oxane-3,4,5-triol
PubChem CID145158354
Molecular FormulaC7H15NO4
Molecular Weight177.20 g/mol
Exact Mass177.10
IUPAC Name(2S,3S,4R,5S,6S)-2-methyl-6-(methylamino)oxane-3,4,5-triol
SMILESCN[C@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C7H15NO4/c1-3-4(9)5(10)6(11)7(8-2)12-3/h3-11H,1-2H3/t3-,4+,5+,6-,7-/m0/s1
InChIKeySQIWPGJBMMLQLA-XUVCUMPTSA-N
XLogP-1.97
TPSA81.95 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 5-1.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,3R,5S)-2,6-dimethyloxane-3,4,5-triol
CID 90181496
(2R,3S,4S,5R,6R)-2-(2-aminoethylamino)-6-methyloxane-3,4,5-triol
CID 7566717
(2S,3R,4S,5S,6R)-2-(2-aminoethylamino)-6-methyloxane-3,4,5-triol
CID 18641174
(2S,3S,4S,5R)-3,4,5-trihydroxy-6-(methylamino)oxane-2-carboxylic acid
CID 152796008
(3R,4R,5R,6S)-6-methyl(213C)oxane-2,3,4,5-tetrol
CID 90472741
(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
(2R,3S,4S,5S,6R)-2-(4-hydroxyanilino)-6-methyloxane-3,4,5-triol
CID 7300080
(2S,3R,4R,5R,6S)-2-(4-hydroxyanilino)-6-methyloxane-3,4,5-triol
CID 124751187
(2S,3R,4S,5R,6S)-2-(4-bromoanilino)-6-methyloxane-3,4,5-triol
CID 124775338

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4R,5S,6S)-2-methyl-6-(methylamino)oxane-3,4,5-triol?
The IUPAC name of (2S,3S,4R,5S,6S)-2-methyl-6-(methylamino)oxane-3,4,5-triol (CID 145158354) is (2S,3S,4R,5S,6S)-2-methyl-6-(methylamino)oxane-3,4,5-triol.
What is the SMILES notation for (2S,3S,4R,5S,6S)-2-methyl-6-(methylamino)oxane-3,4,5-triol?
The canonical SMILES for (2S,3S,4R,5S,6S)-2-methyl-6-(methylamino)oxane-3,4,5-triol is CN[C@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O.
What is the InChIKey of (2S,3S,4R,5S,6S)-2-methyl-6-(methylamino)oxane-3,4,5-triol?
The InChIKey is SQIWPGJBMMLQLA-XUVCUMPTSA-N. The full InChI is InChI=1S/C7H15NO4/c1-3-4(9)5(10)6(11)7(8-2)12-3/h3-11H,1-2H3/t3-,4+,5+,6-,7-/m0/s1.
What are the key properties of (2S,3S,4R,5S,6S)-2-methyl-6-(methylamino)oxane-3,4,5-triol?
(2S,3S,4R,5S,6S)-2-methyl-6-(methylamino)oxane-3,4,5-triol has a molecular weight of 177.20 g/mol, XLogP of -1.97, 1 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4R,5S,6S)-2-methyl-6-(methylamino)oxane-3,4,5-triol is sourced from PubChem (CID 145158354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).