5-amino-2-(hydroxymethyl)-3-methyl-6-[(2-methylpropan-2-yl)oxy]oxan-4-ol

C11H23NO4 — CID 155117279

IUPAC5-amino-2-(hydroxymethyl)-3-methyl-6-[(2-methylpropan-2-yl)oxy]oxan-4-ol
SMILESCC1C(CO)OC(OC(C)(C)C)C(N)C1O
InChIInChI=1S/C11H23NO4/c1-6-7(5-13)15-10(8(12)9(6)14)16-11(2,3)4/h6-10,13-14H,5,12H2,1-4H3
InChIKeyCJYJNBDJSUQNPX-UHFFFAOYSA-N
MW233.31 g/mol
LogP-0.16
Rot. Bonds2

About 5-amino-2-(hydroxymethyl)-3-methyl-6-[(2-methylpropan-2-yl)oxy]oxan-4-ol

5-amino-2-(hydroxymethyl)-3-methyl-6-[(2-methylpropan-2-yl)oxy]oxan-4-ol (PubChem CID 155117279) has the molecular formula C11H23NO4 and a molecular weight of 233.31 g/mol. Its IUPAC name is 5-amino-2-(hydroxymethyl)-3-methyl-6-[(2-methylpropan-2-yl)oxy]oxan-4-ol.

Molecular Properties

Compound Name5-amino-2-(hydroxymethyl)-3-methyl-6-[(2-methylpropan-2-yl)oxy]oxan-4-ol
PubChem CID155117279
Molecular FormulaC11H23NO4
Molecular Weight233.31 g/mol
Exact Mass233.16
IUPAC Name5-amino-2-(hydroxymethyl)-3-methyl-6-[(2-methylpropan-2-yl)oxy]oxan-4-ol
SMILESCC1C(CO)OC(OC(C)(C)C)C(N)C1O
InChIInChI=1S/C11H23NO4/c1-6-7(5-13)15-10(8(12)9(6)14)16-11(2,3)4/h6-10,13-14H,5,12H2,1-4H3
InChIKeyCJYJNBDJSUQNPX-UHFFFAOYSA-N
XLogP-0.16
TPSA84.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 5-0.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-6-[[5-amino-6-[[5-amino-3,4-dihydroxy-6-[(2-methylpropan-2-yl)oxy]oxan-2-yl]methoxy]-3,4-dihydroxyoxan-2-yl]methoxy]-2-(hydroxymethyl)oxane-3,4-diol
CID 155635351
(3S,4R,6R)-2-(hydroxymethyl)-5-methyl-6-[(2-methylpropan-2-yl)oxy]oxane-3,4-diol
CID 158602862
(2S,3R,5R)-3-amino-2-[(3R,5R,6S)-5-amino-4-hydroxy-2-(hydroxymethyl)-6-[(2-methylpropan-2-yl)oxy]oxan-3-yl]oxy-5-tert-butyl-6-(hydroxymethyl)oxan-4-ol
CID 58338801
2-tert-butyl-5-(hydroxymethyl)-4-methyloxolan-3-ol
CID 58532026
(3S,4S,6R)-5-amino-2-(hydroxymethyl)-6-methoxy-3-methyloxan-4-ol;furan-2,5-dione
CID 90864816
[(2S,4S,5R)-2-[(3S,4R,6S)-5-amino-4-hydroxy-2-(hydroxymethyl)-6-[(2-methylpropan-2-yl)oxy]oxan-3-yl]oxy-5-(2,2-dimethylpropyl)-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]azanium
CID 164785071
(2S,3R,4S,5S,6S)-6-(hydroxymethyl)-2-methoxy-5-methyloxane-3,4-diol
CID 162222185
(2R,3R,4R,5S)-4-amino-2-(hydroxymethyl)-5-methoxyoxolan-3-ol
CID 57309160
(3R,6R)-5-amino-2-ethyl-6-methoxy-3-methyloxan-4-ol
CID 163469681
[4-hydroxy-6-(hydroxymethyl)-2,5-bis[(2-methylpropan-2-yl)oxy]oxan-3-yl]azanium
CID 153303924
(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

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(hydroxymethyl)-3-methyl-6-[(2-methylpropan-2-yl)oxy]oxan-4-ol?
The IUPAC name of 5-amino-2-(hydroxymethyl)-3-methyl-6-[(2-methylpropan-2-yl)oxy]oxan-4-ol (CID 155117279) is 5-amino-2-(hydroxymethyl)-3-methyl-6-[(2-methylpropan-2-yl)oxy]oxan-4-ol.
What is the SMILES notation for 5-amino-2-(hydroxymethyl)-3-methyl-6-[(2-methylpropan-2-yl)oxy]oxan-4-ol?
The canonical SMILES for 5-amino-2-(hydroxymethyl)-3-methyl-6-[(2-methylpropan-2-yl)oxy]oxan-4-ol is CC1C(CO)OC(OC(C)(C)C)C(N)C1O.
What is the InChIKey of 5-amino-2-(hydroxymethyl)-3-methyl-6-[(2-methylpropan-2-yl)oxy]oxan-4-ol?
The InChIKey is CJYJNBDJSUQNPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO4/c1-6-7(5-13)15-10(8(12)9(6)14)16-11(2,3)4/h6-10,13-14H,5,12H2,1-4H3.
What are the key properties of 5-amino-2-(hydroxymethyl)-3-methyl-6-[(2-methylpropan-2-yl)oxy]oxan-4-ol?
5-amino-2-(hydroxymethyl)-3-methyl-6-[(2-methylpropan-2-yl)oxy]oxan-4-ol has a molecular weight of 233.31 g/mol, XLogP of -0.16, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(hydroxymethyl)-3-methyl-6-[(2-methylpropan-2-yl)oxy]oxan-4-ol is sourced from PubChem (CID 155117279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).