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

C9H19NO3 — CID 163469681

IUPAC(3R,6R)-5-amino-2-ethyl-6-methoxy-3-methyloxan-4-ol
SMILESCCC1O[C@@H](OC)C(N)C(O)[C@H]1C
InChIInChI=1S/C9H19NO3/c1-4-6-5(2)8(11)7(10)9(12-3)13-6/h5-9,11H,4,10H2,1-3H3/t5-,6?,7?,8?,9+/m0/s1
InChIKeyBVNKPWGWSOTRPL-GTSBWKHXSA-N
MW189.25 g/mol
LogP0.09
Rot. Bonds2

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

(3R,6R)-5-amino-2-ethyl-6-methoxy-3-methyloxan-4-ol (PubChem CID 163469681) has the molecular formula C9H19NO3 and a molecular weight of 189.25 g/mol. Its IUPAC name is (3R,6R)-5-amino-2-ethyl-6-methoxy-3-methyloxan-4-ol.

Molecular Properties

Compound Name(3R,6R)-5-amino-2-ethyl-6-methoxy-3-methyloxan-4-ol
PubChem CID163469681
Molecular FormulaC9H19NO3
Molecular Weight189.25 g/mol
Exact Mass189.14
IUPAC Name(3R,6R)-5-amino-2-ethyl-6-methoxy-3-methyloxan-4-ol
SMILESCCC1O[C@@H](OC)C(N)C(O)[C@H]1C
InChIInChI=1S/C9H19NO3/c1-4-6-5(2)8(11)7(10)9(12-3)13-6/h5-9,11H,4,10H2,1-3H3/t5-,6?,7?,8?,9+/m0/s1
InChIKeyBVNKPWGWSOTRPL-GTSBWKHXSA-N
XLogP0.09
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 ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,4R,5R)-5-ethyl-2-methoxy-4-methyloxolan-3-ol
CID 118680820
(3R,4S,6R)-5-amino-2-(2-hydroxyethoxymethyl)-6-methoxy-3-methyloxan-4-ol
CID 58807594
(2R,3R,4R,5S)-4-amino-2-(hydroxymethyl)-5-methoxyoxolan-3-ol
CID 57309160
(2R,3S,4S,5S,6R)-5-amino-2-(hydroxymethyl)-6-methoxyoxane-3,4-diol
CID 54346230
(2R,3R,4R,5R)-5-amino-2-(hydroxymethyl)-6-methoxyoxane-3,4-diol
CID 13135344
(3S,4S,6R)-5-amino-2-(hydroxymethyl)-6-methoxy-3-methyloxan-4-ol;furan-2,5-dione
CID 90864816
CID 157153816
CID 157153816
2-ethyl-6-methoxyoxane-3,4,5-triol
CID 21334747
(3R,4R,6R)-2-ethyl-6-methoxyoxane-3,4,5-triol
CID 58503038
[(3R,6R)-5-amino-6-methoxy-3,4-dimethyloxan-2-yl]methanol
CID 59893568
2-[5-amino-6-[5-amino-4-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)-5-methoxy-3-methyloxan-4-ol
CID 58030369
2-[6-[6-[4,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]oxy-2-ethyl-4,5-dihydroxyoxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-ethyl-5-methyloxane-3,4-diol;ethane
CID 158317864

Frequently Asked Questions

What is the IUPAC name of (3R,6R)-5-amino-2-ethyl-6-methoxy-3-methyloxan-4-ol?
The IUPAC name of (3R,6R)-5-amino-2-ethyl-6-methoxy-3-methyloxan-4-ol (CID 163469681) is (3R,6R)-5-amino-2-ethyl-6-methoxy-3-methyloxan-4-ol.
What is the SMILES notation for (3R,6R)-5-amino-2-ethyl-6-methoxy-3-methyloxan-4-ol?
The canonical SMILES for (3R,6R)-5-amino-2-ethyl-6-methoxy-3-methyloxan-4-ol is CCC1O[C@@H](OC)C(N)C(O)[C@H]1C.
What is the InChIKey of (3R,6R)-5-amino-2-ethyl-6-methoxy-3-methyloxan-4-ol?
The InChIKey is BVNKPWGWSOTRPL-GTSBWKHXSA-N. The full InChI is InChI=1S/C9H19NO3/c1-4-6-5(2)8(11)7(10)9(12-3)13-6/h5-9,11H,4,10H2,1-3H3/t5-,6?,7?,8?,9+/m0/s1.
What are the key properties of (3R,6R)-5-amino-2-ethyl-6-methoxy-3-methyloxan-4-ol?
(3R,6R)-5-amino-2-ethyl-6-methoxy-3-methyloxan-4-ol has a molecular weight of 189.25 g/mol, XLogP of 0.09, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,6R)-5-amino-2-ethyl-6-methoxy-3-methyloxan-4-ol is sourced from PubChem (CID 163469681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).