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

C8H17NO3 — CID 23254147

IUPAC(2R,3S,4S,6S)-4-amino-6-methoxy-2,4-dimethyloxan-3-ol
SMILESCO[C@@H]1C[C@](C)(N)[C@H](O)[C@@H](C)O1
InChIInChI=1S/C8H17NO3/c1-5-7(10)8(2,9)4-6(11-3)12-5/h5-7,10H,4,9H2,1-3H3/t5-,6+,7-,8+/m1/s1
InChIKeyDXQZAKXNQNBYTD-CWKFCGSDSA-N
MW175.23 g/mol
LogP-0.15
Rot. Bonds1

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

(2R,3S,4S,6S)-4-amino-6-methoxy-2,4-dimethyloxan-3-ol (PubChem CID 23254147) has the molecular formula C8H17NO3 and a molecular weight of 175.23 g/mol. Its IUPAC name is (2R,3S,4S,6S)-4-amino-6-methoxy-2,4-dimethyloxan-3-ol.

Molecular Properties

Compound Name(2R,3S,4S,6S)-4-amino-6-methoxy-2,4-dimethyloxan-3-ol
PubChem CID23254147
Molecular FormulaC8H17NO3
Molecular Weight175.23 g/mol
Exact Mass175.12
IUPAC Name(2R,3S,4S,6S)-4-amino-6-methoxy-2,4-dimethyloxan-3-ol
SMILESCO[C@@H]1C[C@](C)(N)[C@H](O)[C@@H](C)O1
InChIInChI=1S/C8H17NO3/c1-5-7(10)8(2,9)4-6(11-3)12-5/h5-7,10H,4,9H2,1-3H3/t5-,6+,7-,8+/m1/s1
InChIKeyDXQZAKXNQNBYTD-CWKFCGSDSA-N
XLogP-0.15
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Related Compounds

(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
(3S,6S)-4-amino-2,4,6-trimethyloxan-3-ol
CID 89339806
(2R,3S,4R,6R)-4-(dimethylamino)-6-methoxy-2-methyloxane-3,4-diol
CID 22887274
(2S,3R,4S,6S)-6-methoxy-2-methyloxane-3,4-diol
CID 12775768
(2R,3R,4S,6S)-3-amino-6-methoxy-2-methyloxan-4-ol
CID 130909200
(2S,3R,4S)-4-amino-6-methoxy-2-methyloxan-3-ol
CID 70527934
6-methoxy-2,4-dimethyloxan-3-ol
CID 58831559
5-methoxy-2-methyloxolan-3-amine
CID 163994899
(2S,4R,6R)-4-hydroxy-6-methoxy-2,4-dimethyloxan-3-one
CID 143150247
(2R)-6-methoxy-2-methyloxan-3-ol
CID 145387170
(2R,6R)-4-amino-2,4,6-trimethyl-6-tritiooxyoxan-3-ol
CID 91197511
(2S,5R)-3,5-dimethoxy-2,6-dimethyloxan-4-ol
CID 129044489

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,6S)-4-amino-6-methoxy-2,4-dimethyloxan-3-ol?
The IUPAC name of (2R,3S,4S,6S)-4-amino-6-methoxy-2,4-dimethyloxan-3-ol (CID 23254147) is (2R,3S,4S,6S)-4-amino-6-methoxy-2,4-dimethyloxan-3-ol.
What is the SMILES notation for (2R,3S,4S,6S)-4-amino-6-methoxy-2,4-dimethyloxan-3-ol?
The canonical SMILES for (2R,3S,4S,6S)-4-amino-6-methoxy-2,4-dimethyloxan-3-ol is CO[C@@H]1C[C@](C)(N)[C@H](O)[C@@H](C)O1.
What is the InChIKey of (2R,3S,4S,6S)-4-amino-6-methoxy-2,4-dimethyloxan-3-ol?
The InChIKey is DXQZAKXNQNBYTD-CWKFCGSDSA-N. The full InChI is InChI=1S/C8H17NO3/c1-5-7(10)8(2,9)4-6(11-3)12-5/h5-7,10H,4,9H2,1-3H3/t5-,6+,7-,8+/m1/s1.
What are the key properties of (2R,3S,4S,6S)-4-amino-6-methoxy-2,4-dimethyloxan-3-ol?
(2R,3S,4S,6S)-4-amino-6-methoxy-2,4-dimethyloxan-3-ol has a molecular weight of 175.23 g/mol, XLogP of -0.15, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,6S)-4-amino-6-methoxy-2,4-dimethyloxan-3-ol is sourced from PubChem (CID 23254147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).