[(2S,4R,5R)-5-amino-2,5-dimethyloxan-4-yl]methanol

C8H17NO2 — CID 153447598

IUPAC[(2S,4R,5R)-5-amino-2,5-dimethyloxan-4-yl]methanol
SMILESC[C@H]1C[C@@H](CO)[C@@](C)(N)CO1
InChIInChI=1S/C8H17NO2/c1-6-3-7(4-10)8(2,9)5-11-6/h6-7,10H,3-5,9H2,1-2H3/t6-,7-,8-/m0/s1
InChIKeyLENHSYKJMQYZRH-FXQIFTODSA-N
MW159.23 g/mol
LogP0.12
Rot. Bonds1

About [(2S,4R,5R)-5-amino-2,5-dimethyloxan-4-yl]methanol

[(2S,4R,5R)-5-amino-2,5-dimethyloxan-4-yl]methanol (PubChem CID 153447598) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is [(2S,4R,5R)-5-amino-2,5-dimethyloxan-4-yl]methanol.

Molecular Properties

Compound Name[(2S,4R,5R)-5-amino-2,5-dimethyloxan-4-yl]methanol
PubChem CID153447598
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name[(2S,4R,5R)-5-amino-2,5-dimethyloxan-4-yl]methanol
SMILESC[C@H]1C[C@@H](CO)[C@@](C)(N)CO1
InChIInChI=1S/C8H17NO2/c1-6-3-7(4-10)8(2,9)5-11-6/h6-7,10H,3-5,9H2,1-2H3/t6-,7-,8-/m0/s1
InChIKeyLENHSYKJMQYZRH-FXQIFTODSA-N
XLogP0.12
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2S,4R,5R)-5-amino-2,5-dimethyloxan-4-yl]methanol?
The IUPAC name of [(2S,4R,5R)-5-amino-2,5-dimethyloxan-4-yl]methanol (CID 153447598) is [(2S,4R,5R)-5-amino-2,5-dimethyloxan-4-yl]methanol.
What is the SMILES notation for [(2S,4R,5R)-5-amino-2,5-dimethyloxan-4-yl]methanol?
The canonical SMILES for [(2S,4R,5R)-5-amino-2,5-dimethyloxan-4-yl]methanol is C[C@H]1C[C@@H](CO)[C@@](C)(N)CO1.
What is the InChIKey of [(2S,4R,5R)-5-amino-2,5-dimethyloxan-4-yl]methanol?
The InChIKey is LENHSYKJMQYZRH-FXQIFTODSA-N. The full InChI is InChI=1S/C8H17NO2/c1-6-3-7(4-10)8(2,9)5-11-6/h6-7,10H,3-5,9H2,1-2H3/t6-,7-,8-/m0/s1.
What are the key properties of [(2S,4R,5R)-5-amino-2,5-dimethyloxan-4-yl]methanol?
[(2S,4R,5R)-5-amino-2,5-dimethyloxan-4-yl]methanol has a molecular weight of 159.23 g/mol, XLogP of 0.12, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4R,5R)-5-amino-2,5-dimethyloxan-4-yl]methanol is sourced from PubChem (CID 153447598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).