(3R,5R,6R)-2-(aminomethyl)-6-methoxy-4,5-dimethyloxan-3-ol

C9H19NO3 — CID 54071256

IUPAC(3R,5R,6R)-2-(aminomethyl)-6-methoxy-4,5-dimethyloxan-3-ol
SMILESCO[C@@H]1OC(CN)[C@H](O)C(C)[C@H]1C
InChIInChI=1S/C9H19NO3/c1-5-6(2)9(12-3)13-7(4-10)8(5)11/h5-9,11H,4,10H2,1-3H3/t5?,6-,7?,8-,9-/m1/s1
InChIKeyMGPMERQSRYPRAW-QRSFAQPZSA-N
MW189.25 g/mol
LogP-0.05
Rot. Bonds2

About (3R,5R,6R)-2-(aminomethyl)-6-methoxy-4,5-dimethyloxan-3-ol

(3R,5R,6R)-2-(aminomethyl)-6-methoxy-4,5-dimethyloxan-3-ol (PubChem CID 54071256) has the molecular formula C9H19NO3 and a molecular weight of 189.25 g/mol. Its IUPAC name is (3R,5R,6R)-2-(aminomethyl)-6-methoxy-4,5-dimethyloxan-3-ol.

Molecular Properties

Compound Name(3R,5R,6R)-2-(aminomethyl)-6-methoxy-4,5-dimethyloxan-3-ol
PubChem CID54071256
Molecular FormulaC9H19NO3
Molecular Weight189.25 g/mol
Exact Mass189.14
IUPAC Name(3R,5R,6R)-2-(aminomethyl)-6-methoxy-4,5-dimethyloxan-3-ol
SMILESCO[C@@H]1OC(CN)[C@H](O)C(C)[C@H]1C
InChIInChI=1S/C9H19NO3/c1-5-6(2)9(12-3)13-7(4-10)8(5)11/h5-9,11H,4,10H2,1-3H3/t5?,6-,7?,8-,9-/m1/s1
InChIKeyMGPMERQSRYPRAW-QRSFAQPZSA-N
XLogP-0.05
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4S,5S,6R)-2-(aminomethyl)-6-methoxyoxane-3,4,5-triol
CID 59109229
(2R,3R,4S,5S,6S)-2-(aminomethyl)-6-methoxyoxane-3,4,5-triol
CID 131089341
(2R,3R,4S,5R,6S)-2-(aminomethyl)-6-methoxyoxane-3,4,5-triol;hydrochloride
CID 131842478
(2R,3S,4R,5S,6R)-2-(hydroxymethyl)-6-methoxy-5-methyloxane-3,4-diol
CID 88976224
(2R,3R,4R,5R,6R)-2-[3-[(2R,3R,4R,5R,6R)-4-hydroxy-6-methoxy-3,5-dimethyloxan-2-yl]propyl]-6-methoxy-3,5-dimethyloxan-4-ol
CID 24763935
(3S,5S,6R)-5-amino-6-[(3S,5S,6S)-5-amino-2-(aminomethyl)-4-hydroxy-6-methoxyoxan-3-yl]oxy-2-(aminomethyl)oxane-3,4-diol
CID 70799044
(2R,4R,5R)-5-ethyl-2-methoxy-4-methyloxolan-3-ol
CID 118680820
(2R,3S,4R,5R,6R)-5-amino-6-[(2R,3S,4R,5R,6R)-5-amino-6-[(2R,3S,4R,5R,6R)-5-amino-6-[(2R,3S,4R,5R,6S)-5-amino-2-(aminomethyl)-4-hydroxy-6-methoxyoxan-3-yl]oxy-2-(aminomethyl)-4-hydroxyoxan-3-yl]oxy-2-(aminomethyl)-4-hydroxyoxan-3-yl]oxy-2-(aminomethyl)oxane-3,4-diol;octahydrochloride
CID 53467854
ethane;6-methoxy-5-methyl-2-propyloxane-3,4-diol
CID 168912950
(3R,6R)-5-amino-2-ethyl-6-methoxy-3-methyloxan-4-ol
CID 163469681
(2S,3R,4S,5S,6S)-6-(hydroxymethyl)-2-methoxy-5-methyloxane-3,4-diol
CID 162222185
(3R,4S,6R)-2-(fluoromethyl)-6-methoxy-3,4,5-trimethyloxane
CID 58241382

Frequently Asked Questions

What is the IUPAC name of (3R,5R,6R)-2-(aminomethyl)-6-methoxy-4,5-dimethyloxan-3-ol?
The IUPAC name of (3R,5R,6R)-2-(aminomethyl)-6-methoxy-4,5-dimethyloxan-3-ol (CID 54071256) is (3R,5R,6R)-2-(aminomethyl)-6-methoxy-4,5-dimethyloxan-3-ol.
What is the SMILES notation for (3R,5R,6R)-2-(aminomethyl)-6-methoxy-4,5-dimethyloxan-3-ol?
The canonical SMILES for (3R,5R,6R)-2-(aminomethyl)-6-methoxy-4,5-dimethyloxan-3-ol is CO[C@@H]1OC(CN)[C@H](O)C(C)[C@H]1C.
What is the InChIKey of (3R,5R,6R)-2-(aminomethyl)-6-methoxy-4,5-dimethyloxan-3-ol?
The InChIKey is MGPMERQSRYPRAW-QRSFAQPZSA-N. The full InChI is InChI=1S/C9H19NO3/c1-5-6(2)9(12-3)13-7(4-10)8(5)11/h5-9,11H,4,10H2,1-3H3/t5?,6-,7?,8-,9-/m1/s1.
What are the key properties of (3R,5R,6R)-2-(aminomethyl)-6-methoxy-4,5-dimethyloxan-3-ol?
(3R,5R,6R)-2-(aminomethyl)-6-methoxy-4,5-dimethyloxan-3-ol has a molecular weight of 189.25 g/mol, XLogP of -0.05, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R,6R)-2-(aminomethyl)-6-methoxy-4,5-dimethyloxan-3-ol is sourced from PubChem (CID 54071256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).