1-[(3R,4R,5S,6R)-3-amino-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-2,2-dimethylpropan-1-one

C11H21NO6 — CID 141416489

IUPAC1-[(3R,4R,5S,6R)-3-amino-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)C1(O)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1N
InChIInChI=1S/C11H21NO6/c1-10(2,3)9(16)11(17)8(12)7(15)6(14)5(4-13)18-11/h5-8,13-15,17H,4,12H2,1-3H3/t5-,6-,7+,8-,11?/m1/s1
InChIKeyJGKYRPNAWQLKCA-FKCQWBASSA-N
MW263.29 g/mol
LogP-2.27
Rot. Bonds2

About 1-[(3R,4R,5S,6R)-3-amino-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-2,2-dimethylpropan-1-one

1-[(3R,4R,5S,6R)-3-amino-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-2,2-dimethylpropan-1-one (PubChem CID 141416489) has the molecular formula C11H21NO6 and a molecular weight of 263.29 g/mol. Its IUPAC name is 1-[(3R,4R,5S,6R)-3-amino-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[(3R,4R,5S,6R)-3-amino-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-2,2-dimethylpropan-1-one
PubChem CID141416489
Molecular FormulaC11H21NO6
Molecular Weight263.29 g/mol
Exact Mass263.14
IUPAC Name1-[(3R,4R,5S,6R)-3-amino-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)C1(O)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1N
InChIInChI=1S/C11H21NO6/c1-10(2,3)9(16)11(17)8(12)7(15)6(14)5(4-13)18-11/h5-8,13-15,17H,4,12H2,1-3H3/t5-,6-,7+,8-,11?/m1/s1
InChIKeyJGKYRPNAWQLKCA-FKCQWBASSA-N
XLogP-2.27
TPSA133.24 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 5-2.27
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[(3R,4R,5S,6R)-3-amino-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[(3R,4R,5S,6R)-3-amino-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-2,2-dimethylpropan-1-one (CID 141416489) is 1-[(3R,4R,5S,6R)-3-amino-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[(3R,4R,5S,6R)-3-amino-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[(3R,4R,5S,6R)-3-amino-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-2,2-dimethylpropan-1-one is CC(C)(C)C(=O)C1(O)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1N.
What is the InChIKey of 1-[(3R,4R,5S,6R)-3-amino-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-2,2-dimethylpropan-1-one?
The InChIKey is JGKYRPNAWQLKCA-FKCQWBASSA-N. The full InChI is InChI=1S/C11H21NO6/c1-10(2,3)9(16)11(17)8(12)7(15)6(14)5(4-13)18-11/h5-8,13-15,17H,4,12H2,1-3H3/t5-,6-,7+,8-,11?/m1/s1.
What are the key properties of 1-[(3R,4R,5S,6R)-3-amino-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-2,2-dimethylpropan-1-one?
1-[(3R,4R,5S,6R)-3-amino-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-2,2-dimethylpropan-1-one has a molecular weight of 263.29 g/mol, XLogP of -2.27, 2 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R,4R,5S,6R)-3-amino-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 141416489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).