1-[(3S,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]ethanone

C8H15NO5 — CID 18650344

IUPAC1-[(3S,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]ethanone
SMILESCC(=O)[C@]1(N)CO[C@H](CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/C8H15NO5/c1-4(11)8(9)3-14-5(2-10)6(12)7(8)13/h5-7,10,12-13H,2-3,9H2,1H3/t5-,6-,7+,8-/m1/s1
InChIKeyHBZNKHWGAKETDU-OOJXKGFFSA-N
MW205.21 g/mol
LogP-2.61
Rot. Bonds2

About 1-[(3S,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]ethanone

1-[(3S,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]ethanone (PubChem CID 18650344) has the molecular formula C8H15NO5 and a molecular weight of 205.21 g/mol. Its IUPAC name is 1-[(3S,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]ethanone.

Molecular Properties

Compound Name1-[(3S,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]ethanone
PubChem CID18650344
Molecular FormulaC8H15NO5
Molecular Weight205.21 g/mol
Exact Mass205.10
IUPAC Name1-[(3S,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]ethanone
SMILESCC(=O)[C@]1(N)CO[C@H](CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/C8H15NO5/c1-4(11)8(9)3-14-5(2-10)6(12)7(8)13/h5-7,10,12-13H,2-3,9H2,1H3/t5-,6-,7+,8-/m1/s1
InChIKeyHBZNKHWGAKETDU-OOJXKGFFSA-N
XLogP-2.61
TPSA113.01 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 5-2.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 1-[(3S,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]ethanone with MolForge

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Related Compounds

N-[(3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 69476720
N-[(3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 54288562
(4R,5S)-6-(hydroxymethyl)oxane-3,3,4,5-tetrol
CID 59927511
methyl (3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxane-3-carboxylate
CID 91074786
N-[(3S,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxan-3-yl]acetamide
CID 54102561
1-[(2R,3R,4S,5S,6R)-3-amino-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-2-yl]ethanone
CID 140653624
(2R,3R,4S,5R)-2-(hydroxymethyl)-5-iodooxane-3,4,5-triol
CID 91589098
N-[(2S,3S,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)-4-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]oxan-3-yl]acetamide
CID 57018158
(2R,3S,4S,5S)-2-(hydroxymethyl)-5-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxane-3,4,5-triol
CID 175303610
(2S,3S,4S,5S,6R)-6-(aminomethyl)-3-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]oxane-2,3,4,5-tetrol
CID 57018621
1-[(3S,4S,5S,6R)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)-2-sulfanyloxan-3-yl]ethanone
CID 141190126
(2R,3R,4R)-2-(hydroxymethyl)-4-methyloxolane-3,4-diol
CID 91038054

Frequently Asked Questions

What is the IUPAC name of 1-[(3S,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]ethanone?
The IUPAC name of 1-[(3S,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]ethanone (CID 18650344) is 1-[(3S,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]ethanone.
What is the SMILES notation for 1-[(3S,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]ethanone?
The canonical SMILES for 1-[(3S,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]ethanone is CC(=O)[C@]1(N)CO[C@H](CO)[C@@H](O)[C@@H]1O.
What is the InChIKey of 1-[(3S,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]ethanone?
The InChIKey is HBZNKHWGAKETDU-OOJXKGFFSA-N. The full InChI is InChI=1S/C8H15NO5/c1-4(11)8(9)3-14-5(2-10)6(12)7(8)13/h5-7,10,12-13H,2-3,9H2,1H3/t5-,6-,7+,8-/m1/s1.
What are the key properties of 1-[(3S,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]ethanone?
1-[(3S,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]ethanone has a molecular weight of 205.21 g/mol, XLogP of -2.61, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]ethanone is sourced from PubChem (CID 18650344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).