N-[(3R,4S,5R,6S)-5-amino-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

C8H16N2O5 — CID 139572683

IUPACN-[(3R,4S,5R,6S)-5-amino-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
SMILESCC(=O)N[C@H]1C(O)O[C@H](CO)[C@H](N)[C@@H]1O
InChIInChI=1S/C8H16N2O5/c1-3(12)10-6-7(13)5(9)4(2-11)15-8(6)14/h4-8,11,13-14H,2,9H2,1H3,(H,10,12)/t4-,5+,6-,7+,8?/m1/s1
InChIKeyMCXSGZAEBZAHRE-KKTDVHOYSA-N
MW220.22 g/mol
LogP-3.11
Rot. Bonds2

About N-[(3R,4S,5R,6S)-5-amino-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

N-[(3R,4S,5R,6S)-5-amino-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide (PubChem CID 139572683) has the molecular formula C8H16N2O5 and a molecular weight of 220.22 g/mol. Its IUPAC name is N-[(3R,4S,5R,6S)-5-amino-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3R,4S,5R,6S)-5-amino-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
PubChem CID139572683
Molecular FormulaC8H16N2O5
Molecular Weight220.22 g/mol
Exact Mass220.11
IUPAC NameN-[(3R,4S,5R,6S)-5-amino-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
SMILESCC(=O)N[C@H]1C(O)O[C@H](CO)[C@H](N)[C@@H]1O
InChIInChI=1S/C8H16N2O5/c1-3(12)10-6-7(13)5(9)4(2-11)15-8(6)14/h4-8,11,13-14H,2,9H2,1H3,(H,10,12)/t4-,5+,6-,7+,8?/m1/s1
InChIKeyMCXSGZAEBZAHRE-KKTDVHOYSA-N
XLogP-3.11
TPSA125.04 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.22
LogP ≤ 5-3.11
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2R,3S,4S,5R)-2,4-dihydroxy-5-(hydroxymethyl)oxolan-3-yl]acetamide
CID 131118562
N-[(2R,3R,4R,5S,6R)-4-amino-2,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 154572806
N-[(4R,5R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 58718646
N-[(2S,3R,4S,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 11869611
N-[(3S)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 16757753
N-[(2R,3S,4S,5R,6S)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 11861101
N-[(2S,3R,4S,5S,6R)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]acetamide
CID 70004972
acetic acid;N-[(3R,4R,5R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide;N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 158802071
ethene;N-[(4S,5R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 157487416
molecular hydrogen;N-[(3R,4R,5R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 158718880
(3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;sulfuric acid;N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 174572673
N-[(3R,4R,5S,6R)-5-fluoro-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 10466144

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S,5R,6S)-5-amino-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide?
The IUPAC name of N-[(3R,4S,5R,6S)-5-amino-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide (CID 139572683) is N-[(3R,4S,5R,6S)-5-amino-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide.
What is the SMILES notation for N-[(3R,4S,5R,6S)-5-amino-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide?
The canonical SMILES for N-[(3R,4S,5R,6S)-5-amino-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide is CC(=O)N[C@H]1C(O)O[C@H](CO)[C@H](N)[C@@H]1O.
What is the InChIKey of N-[(3R,4S,5R,6S)-5-amino-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide?
The InChIKey is MCXSGZAEBZAHRE-KKTDVHOYSA-N. The full InChI is InChI=1S/C8H16N2O5/c1-3(12)10-6-7(13)5(9)4(2-11)15-8(6)14/h4-8,11,13-14H,2,9H2,1H3,(H,10,12)/t4-,5+,6-,7+,8?/m1/s1.
What are the key properties of N-[(3R,4S,5R,6S)-5-amino-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide?
N-[(3R,4S,5R,6S)-5-amino-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide has a molecular weight of 220.22 g/mol, XLogP of -3.11, 2 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S,5R,6S)-5-amino-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide is sourced from PubChem (CID 139572683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).