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

C7H15NO3 — CID 130909200

IUPAC(2R,3R,4S,6S)-3-amino-6-methoxy-2-methyloxan-4-ol
SMILESCO[C@@H]1C[C@H](O)[C@@H](N)[C@@H](C)O1
InChIInChI=1S/C7H15NO3/c1-4-7(8)5(9)3-6(10-2)11-4/h4-7,9H,3,8H2,1-2H3/t4-,5+,6+,7+/m1/s1
InChIKeyDPKUDIMJAIBASW-BWBBJGPYSA-N
MW161.20 g/mol
LogP-0.54
Rot. Bonds1

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

(2R,3R,4S,6S)-3-amino-6-methoxy-2-methyloxan-4-ol (PubChem CID 130909200) has the molecular formula C7H15NO3 and a molecular weight of 161.20 g/mol. Its IUPAC name is (2R,3R,4S,6S)-3-amino-6-methoxy-2-methyloxan-4-ol.

Molecular Properties

Compound Name(2R,3R,4S,6S)-3-amino-6-methoxy-2-methyloxan-4-ol
PubChem CID130909200
Molecular FormulaC7H15NO3
Molecular Weight161.20 g/mol
Exact Mass161.11
IUPAC Name(2R,3R,4S,6S)-3-amino-6-methoxy-2-methyloxan-4-ol
SMILESCO[C@@H]1C[C@H](O)[C@@H](N)[C@@H](C)O1
InChIInChI=1S/C7H15NO3/c1-4-7(8)5(9)3-6(10-2)11-4/h4-7,9H,3,8H2,1-2H3/t4-,5+,6+,7+/m1/s1
InChIKeyDPKUDIMJAIBASW-BWBBJGPYSA-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 (2R,3R,4S,6S)-3-amino-6-methoxy-2-methyloxan-4-ol with MolForge

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Related Compounds

(2S,3R,4S,6S)-6-methoxy-2-methyloxane-3,4-diol
CID 12775768
(2S,3R,4S)-4-amino-6-methoxy-2-methyloxan-3-ol
CID 70527934
5-methoxy-2-methyloxolan-3-amine
CID 163994899
6-methoxy-2,4-dimethyloxan-3-ol
CID 58831559
(2R)-6-methoxy-2-methyloxan-3-ol
CID 145387170
(3R,4R,6R)-3-amino-2-methyl-6-propan-2-yloxan-4-ol
CID 89411183
(2S,3R,5S)-2,5-dimethoxyoxolan-3-ol
CID 99988447
(3aS,4R,6R,6aS)-2-methoxy-4-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-6-ol
CID 158856895
(2S,3R,4S,6S)-4-amino-6-[(2S,3R,4R,6S)-4-hydroxy-6-methoxy-2-methyloxan-3-yl]oxy-2,4-dimethyloxan-3-ol
CID 163082697
N-[(2S,3R,4S,6S)-4-hydroxy-6-methoxy-2-methyloxan-3-yl]acetamide
CID 130754519
(2R,3S,4S,6S)-4-amino-6-methoxy-2,4-dimethyloxan-3-ol
CID 23254147
(2R,3S,4R,6R)-2-ethyl-3,6-dimethoxyoxan-4-ol
CID 129234944

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,6S)-3-amino-6-methoxy-2-methyloxan-4-ol?
The IUPAC name of (2R,3R,4S,6S)-3-amino-6-methoxy-2-methyloxan-4-ol (CID 130909200) is (2R,3R,4S,6S)-3-amino-6-methoxy-2-methyloxan-4-ol.
What is the SMILES notation for (2R,3R,4S,6S)-3-amino-6-methoxy-2-methyloxan-4-ol?
The canonical SMILES for (2R,3R,4S,6S)-3-amino-6-methoxy-2-methyloxan-4-ol is CO[C@@H]1C[C@H](O)[C@@H](N)[C@@H](C)O1.
What is the InChIKey of (2R,3R,4S,6S)-3-amino-6-methoxy-2-methyloxan-4-ol?
The InChIKey is DPKUDIMJAIBASW-BWBBJGPYSA-N. The full InChI is InChI=1S/C7H15NO3/c1-4-7(8)5(9)3-6(10-2)11-4/h4-7,9H,3,8H2,1-2H3/t4-,5+,6+,7+/m1/s1.
What are the key properties of (2R,3R,4S,6S)-3-amino-6-methoxy-2-methyloxan-4-ol?
(2R,3R,4S,6S)-3-amino-6-methoxy-2-methyloxan-4-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 (2R,3R,4S,6S)-3-amino-6-methoxy-2-methyloxan-4-ol is sourced from PubChem (CID 130909200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).