(2R,4R,6R)-5-amino-2-ethyl-4,6-dimethyloxan-3-ol

C9H19NO2 — CID 59870886

IUPAC(2R,4R,6R)-5-amino-2-ethyl-4,6-dimethyloxan-3-ol
SMILESCC[C@H]1O[C@H](C)C(N)[C@@H](C)C1O
InChIInChI=1S/C9H19NO2/c1-4-7-9(11)5(2)8(10)6(3)12-7/h5-9,11H,4,10H2,1-3H3/t5-,6-,7-,8?,9?/m1/s1
InChIKeyGHRSWPNRYBSDLM-YVAABNCISA-N
MW173.26 g/mol
LogP0.51
Rot. Bonds1

About (2R,4R,6R)-5-amino-2-ethyl-4,6-dimethyloxan-3-ol

(2R,4R,6R)-5-amino-2-ethyl-4,6-dimethyloxan-3-ol (PubChem CID 59870886) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is (2R,4R,6R)-5-amino-2-ethyl-4,6-dimethyloxan-3-ol.

Molecular Properties

Compound Name(2R,4R,6R)-5-amino-2-ethyl-4,6-dimethyloxan-3-ol
PubChem CID59870886
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name(2R,4R,6R)-5-amino-2-ethyl-4,6-dimethyloxan-3-ol
SMILESCC[C@H]1O[C@H](C)C(N)[C@@H](C)C1O
InChIInChI=1S/C9H19NO2/c1-4-7-9(11)5(2)8(10)6(3)12-7/h5-9,11H,4,10H2,1-3H3/t5-,6-,7-,8?,9?/m1/s1
InChIKeyGHRSWPNRYBSDLM-YVAABNCISA-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

Analyze (2R,4R,6R)-5-amino-2-ethyl-4,6-dimethyloxan-3-ol with MolForge

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Related Compounds

(2R,3S,4S,5R,6R)-2-ethyl-4,5,6-trimethyloxan-3-ol
CID 163662834
(2R,4S,5S)-2-ethyl-5-methyloxolane-3,4-diol
CID 59996451
(2R,3S,4R,5S)-2-ethyl-5-methyloxolane-3,4-diol
CID 59834182
(3R,5S)-6-ethyl-2,5-dimethyloxane-3,4-diol
CID 142172464
(2S,4S,5R)-6-ethyl-2,5-dimethyloxane-3,4-diol
CID 59046301
(4S,5S)-6-ethyl-4-methyloxane-2,3,5-triol
CID 90429062
(3S,4R,6R)-5-amino-2-(hydroxymethyl)-6-methyloxane-3,4-diol
CID 122537280
(2R,3R,4S,5R)-4-amino-5-ethyl-2-(hydroxymethyl)oxolan-3-ol
CID 129088072
5-amino-6-ethyl-2-(hydroxymethyl)oxane-3,4-diol
CID 20760770
(3R,6R)-5-amino-2-ethyl-6-methoxy-3-methyloxan-4-ol
CID 163469681
(2S,3S,5R)-2-ethyl-5-(hydroxymethyl)oxolane-3,4-diol
CID 59615653
(2R,3S,6R)-2-ethyl-6-[(2R,3S,6R)-2-ethyl-6-[(3R,4R,6S)-2-ethyl-4,5,6-trimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-ol
CID 59044769

Frequently Asked Questions

What is the IUPAC name of (2R,4R,6R)-5-amino-2-ethyl-4,6-dimethyloxan-3-ol?
The IUPAC name of (2R,4R,6R)-5-amino-2-ethyl-4,6-dimethyloxan-3-ol (CID 59870886) is (2R,4R,6R)-5-amino-2-ethyl-4,6-dimethyloxan-3-ol.
What is the SMILES notation for (2R,4R,6R)-5-amino-2-ethyl-4,6-dimethyloxan-3-ol?
The canonical SMILES for (2R,4R,6R)-5-amino-2-ethyl-4,6-dimethyloxan-3-ol is CC[C@H]1O[C@H](C)C(N)[C@@H](C)C1O.
What is the InChIKey of (2R,4R,6R)-5-amino-2-ethyl-4,6-dimethyloxan-3-ol?
The InChIKey is GHRSWPNRYBSDLM-YVAABNCISA-N. The full InChI is InChI=1S/C9H19NO2/c1-4-7-9(11)5(2)8(10)6(3)12-7/h5-9,11H,4,10H2,1-3H3/t5-,6-,7-,8?,9?/m1/s1.
What are the key properties of (2R,4R,6R)-5-amino-2-ethyl-4,6-dimethyloxan-3-ol?
(2R,4R,6R)-5-amino-2-ethyl-4,6-dimethyloxan-3-ol 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 (2R,4R,6R)-5-amino-2-ethyl-4,6-dimethyloxan-3-ol is sourced from PubChem (CID 59870886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).