(2S,3R,4S)-4-amino-6-methoxy-2-methyloxan-3-ol

C7H15NO3 — CID 70527934

IUPAC(2S,3R,4S)-4-amino-6-methoxy-2-methyloxan-3-ol
SMILESCOC1C[C@H](N)[C@@H](O)[C@H](C)O1
InChIInChI=1S/C7H15NO3/c1-4-7(9)5(8)3-6(10-2)11-4/h4-7,9H,3,8H2,1-2H3/t4-,5-,6?,7-/m0/s1
InChIKeyUIWJWFKPPXKEJV-KQXJUZEQSA-N
MW161.20 g/mol
LogP-0.54
Rot. Bonds1

About (2S,3R,4S)-4-amino-6-methoxy-2-methyloxan-3-ol

(2S,3R,4S)-4-amino-6-methoxy-2-methyloxan-3-ol (PubChem CID 70527934) has the molecular formula C7H15NO3 and a molecular weight of 161.20 g/mol. Its IUPAC name is (2S,3R,4S)-4-amino-6-methoxy-2-methyloxan-3-ol.

Molecular Properties

Compound Name(2S,3R,4S)-4-amino-6-methoxy-2-methyloxan-3-ol
PubChem CID70527934
Molecular FormulaC7H15NO3
Molecular Weight161.20 g/mol
Exact Mass161.11
IUPAC Name(2S,3R,4S)-4-amino-6-methoxy-2-methyloxan-3-ol
SMILESCOC1C[C@H](N)[C@@H](O)[C@H](C)O1
InChIInChI=1S/C7H15NO3/c1-4-7(9)5(8)3-6(10-2)11-4/h4-7,9H,3,8H2,1-2H3/t4-,5-,6?,7-/m0/s1
InChIKeyUIWJWFKPPXKEJV-KQXJUZEQSA-N
XLogP-0.54
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 5-0.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S,3R,4S)-4-amino-6-methoxy-2-methyloxan-3-ol with MolForge

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Launch Full Analysis

Related Compounds

5-methoxy-2-methyloxolan-3-amine
CID 163994899
(2S,3R,4S,6S)-6-methoxy-2-methyloxane-3,4-diol
CID 12775768
6-methoxy-2,4-dimethyloxan-3-ol
CID 58831559
(2R,3R,4S,6S)-3-amino-6-methoxy-2-methyloxan-4-ol
CID 130909200
(2R,3S,4S,6R)-4-amino-2-(hydroxymethyl)-6-methoxyoxan-3-ol
CID 101213887
(2R,3S,4R,6R)-4-amino-2-(hydroxymethyl)-6-methoxyoxan-3-ol
CID 101213890
(5S,6S)-4-amino-6-methyloxane-2,5-diol
CID 55284628
(2S,5S)-4-amino-6-methyloxane-2,5-diol;hydrochloride
CID 91980014
(1R)-1-[(2R,3R,5R)-3-amino-5-methoxyoxolan-2-yl]ethanol
CID 131124380
(2R,3R,4R,6S)-6-[(2R,3R,4S,6S)-4,6-dimethoxy-2-methyloxan-3-yl]oxy-4-methoxy-2-methyloxan-3-ol
CID 162926783
(2S,3S,6R)-6-methoxy-2-methyloxan-3-amine
CID 55284490
(3S,4R,6R)-4-amino-2-methyl-6-propan-2-yloxan-3-ol
CID 89411156

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S)-4-amino-6-methoxy-2-methyloxan-3-ol?
The IUPAC name of (2S,3R,4S)-4-amino-6-methoxy-2-methyloxan-3-ol (CID 70527934) is (2S,3R,4S)-4-amino-6-methoxy-2-methyloxan-3-ol.
What is the SMILES notation for (2S,3R,4S)-4-amino-6-methoxy-2-methyloxan-3-ol?
The canonical SMILES for (2S,3R,4S)-4-amino-6-methoxy-2-methyloxan-3-ol is COC1C[C@H](N)[C@@H](O)[C@H](C)O1.
What is the InChIKey of (2S,3R,4S)-4-amino-6-methoxy-2-methyloxan-3-ol?
The InChIKey is UIWJWFKPPXKEJV-KQXJUZEQSA-N. The full InChI is InChI=1S/C7H15NO3/c1-4-7(9)5(8)3-6(10-2)11-4/h4-7,9H,3,8H2,1-2H3/t4-,5-,6?,7-/m0/s1.
What are the key properties of (2S,3R,4S)-4-amino-6-methoxy-2-methyloxan-3-ol?
(2S,3R,4S)-4-amino-6-methoxy-2-methyloxan-3-ol has a molecular weight of 161.20 g/mol, XLogP of -0.54, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S)-4-amino-6-methoxy-2-methyloxan-3-ol is sourced from PubChem (CID 70527934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).