(2S,3R,4S,5R,6S)-5-amino-2,6-dimethyloxane-3,4-diol

C7H15NO3 — CID 59078216

IUPAC(2S,3R,4S,5R,6S)-5-amino-2,6-dimethyloxane-3,4-diol
SMILESC[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1N
InChIInChI=1S/C7H15NO3/c1-3-5(8)7(10)6(9)4(2)11-3/h3-7,9-10H,8H2,1-2H3/t3-,4-,5-,6-,7-/m0/s1
InChIKeyOJPYYJZUGWHVAN-RRNSMKEASA-N
MW161.20 g/mol
LogP-1.16
Rot. Bonds

About (2S,3R,4S,5R,6S)-5-amino-2,6-dimethyloxane-3,4-diol

(2S,3R,4S,5R,6S)-5-amino-2,6-dimethyloxane-3,4-diol (PubChem CID 59078216) has the molecular formula C7H15NO3 and a molecular weight of 161.20 g/mol. Its IUPAC name is (2S,3R,4S,5R,6S)-5-amino-2,6-dimethyloxane-3,4-diol.

Molecular Properties

Compound Name(2S,3R,4S,5R,6S)-5-amino-2,6-dimethyloxane-3,4-diol
PubChem CID59078216
Molecular FormulaC7H15NO3
Molecular Weight161.20 g/mol
Exact Mass161.11
IUPAC Name(2S,3R,4S,5R,6S)-5-amino-2,6-dimethyloxane-3,4-diol
SMILESC[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1N
InChIInChI=1S/C7H15NO3/c1-3-5(8)7(10)6(9)4(2)11-3/h3-7,9-10H,8H2,1-2H3/t3-,4-,5-,6-,7-/m0/s1
InChIKeyOJPYYJZUGWHVAN-RRNSMKEASA-N
XLogP-1.16
TPSA75.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 5-1.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2S,3R,4S,5R,6S)-5-amino-2,6-dimethyloxane-3,4-diol with MolForge

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Related Compounds

(2R,5S)-4-amino-2,6-dimethyloxane-3,5-diol
CID 89232142
(2R,3R,5S)-2,6-dimethyloxane-3,4,5-triol
CID 90181496
(3S,4R,6R)-5-amino-2-(hydroxymethyl)-6-methyloxane-3,4-diol
CID 122537280
(3R)-5-methyloxolane-2,3,4-triol
CID 59335588
(2S,3R,4S,5S,6R)-2-amino-6-methyloxane-3,4,5-triol
CID 70182320
2-amino-6-methyloxane-3,4,5-triol
CID 4218932
(3R,4R,5S,6S)-5-amino-3-fluoro-6-methyloxane-2,4-diol
CID 54168538
(3S,4R,5S,6R)-5-amino-3-fluoro-6-methyloxane-2,4-diol
CID 130992916
(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
(3S,4R,5S,6S)-6-methyl(213C)oxane-2,3,4,5-tetrol
CID 101369112

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S,5R,6S)-5-amino-2,6-dimethyloxane-3,4-diol?
The IUPAC name of (2S,3R,4S,5R,6S)-5-amino-2,6-dimethyloxane-3,4-diol (CID 59078216) is (2S,3R,4S,5R,6S)-5-amino-2,6-dimethyloxane-3,4-diol.
What is the SMILES notation for (2S,3R,4S,5R,6S)-5-amino-2,6-dimethyloxane-3,4-diol?
The canonical SMILES for (2S,3R,4S,5R,6S)-5-amino-2,6-dimethyloxane-3,4-diol is C[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1N.
What is the InChIKey of (2S,3R,4S,5R,6S)-5-amino-2,6-dimethyloxane-3,4-diol?
The InChIKey is OJPYYJZUGWHVAN-RRNSMKEASA-N. The full InChI is InChI=1S/C7H15NO3/c1-3-5(8)7(10)6(9)4(2)11-3/h3-7,9-10H,8H2,1-2H3/t3-,4-,5-,6-,7-/m0/s1.
What are the key properties of (2S,3R,4S,5R,6S)-5-amino-2,6-dimethyloxane-3,4-diol?
(2S,3R,4S,5R,6S)-5-amino-2,6-dimethyloxane-3,4-diol has a molecular weight of 161.20 g/mol, XLogP of -1.16, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S,5R,6S)-5-amino-2,6-dimethyloxane-3,4-diol is sourced from PubChem (CID 59078216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).