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

C9H19NO2 — CID 153447602

IUPAC[(2S,4R,5R)-5-amino-2,4,5-trimethyloxan-4-yl]methanol
SMILESC[C@H]1C[C@@](C)(CO)[C@@](C)(N)CO1
InChIInChI=1S/C9H19NO2/c1-7-4-8(2,5-11)9(3,10)6-12-7/h7,11H,4-6,10H2,1-3H3/t7-,8-,9-/m0/s1
InChIKeyUDAZAORNEOIAFL-CIUDSAMLSA-N
MW173.26 g/mol
LogP0.51
Rot. Bonds1

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

[(2S,4R,5R)-5-amino-2,4,5-trimethyloxan-4-yl]methanol (PubChem CID 153447602) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is [(2S,4R,5R)-5-amino-2,4,5-trimethyloxan-4-yl]methanol.

Molecular Properties

Compound Name[(2S,4R,5R)-5-amino-2,4,5-trimethyloxan-4-yl]methanol
PubChem CID153447602
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name[(2S,4R,5R)-5-amino-2,4,5-trimethyloxan-4-yl]methanol
SMILESC[C@H]1C[C@@](C)(CO)[C@@](C)(N)CO1
InChIInChI=1S/C9H19NO2/c1-7-4-8(2,5-11)9(3,10)6-12-7/h7,11H,4-6,10H2,1-3H3/t7-,8-,9-/m0/s1
InChIKeyUDAZAORNEOIAFL-CIUDSAMLSA-N
XLogP0.51
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 50.51
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-2,4,5-trimethyloxan-4-yl]methanol?
The IUPAC name of [(2S,4R,5R)-5-amino-2,4,5-trimethyloxan-4-yl]methanol (CID 153447602) is [(2S,4R,5R)-5-amino-2,4,5-trimethyloxan-4-yl]methanol.
What is the SMILES notation for [(2S,4R,5R)-5-amino-2,4,5-trimethyloxan-4-yl]methanol?
The canonical SMILES for [(2S,4R,5R)-5-amino-2,4,5-trimethyloxan-4-yl]methanol is C[C@H]1C[C@@](C)(CO)[C@@](C)(N)CO1.
What is the InChIKey of [(2S,4R,5R)-5-amino-2,4,5-trimethyloxan-4-yl]methanol?
The InChIKey is UDAZAORNEOIAFL-CIUDSAMLSA-N. The full InChI is InChI=1S/C9H19NO2/c1-7-4-8(2,5-11)9(3,10)6-12-7/h7,11H,4-6,10H2,1-3H3/t7-,8-,9-/m0/s1.
What are the key properties of [(2S,4R,5R)-5-amino-2,4,5-trimethyloxan-4-yl]methanol?
[(2S,4R,5R)-5-amino-2,4,5-trimethyloxan-4-yl]methanol has a molecular weight of 173.26 g/mol, XLogP of 0.51, 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-2,4,5-trimethyloxan-4-yl]methanol is sourced from PubChem (CID 153447602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).