N-[(2R,3R,4R,5S,6S)-6-[(R)-amino(hydroxy)methyl]-2,4,5-trihydroxyoxan-3-yl]acetamide

C8H16N2O6 — CID 154702648

IUPACN-[(2R,3R,4R,5S,6S)-6-[(R)-amino(hydroxy)methyl]-2,4,5-trihydroxyoxan-3-yl]acetamide
SMILESCC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H]([C@H](N)O)O[C@H]1O
InChIInChI=1S/C8H16N2O6/c1-2(11)10-3-4(12)5(13)6(7(9)14)16-8(3)15/h3-8,12-15H,9H2,1H3,(H,10,11)/t3-,4-,5+,6+,7-,8-/m1/s1
InChIKeyQJHQPHNHPGTBPF-YQOPPWPCSA-N
MW236.22 g/mol
LogP-3.79
Rot. Bonds2

About N-[(2R,3R,4R,5S,6S)-6-[(R)-amino(hydroxy)methyl]-2,4,5-trihydroxyoxan-3-yl]acetamide

N-[(2R,3R,4R,5S,6S)-6-[(R)-amino(hydroxy)methyl]-2,4,5-trihydroxyoxan-3-yl]acetamide (PubChem CID 154702648) has the molecular formula C8H16N2O6 and a molecular weight of 236.22 g/mol. Its IUPAC name is N-[(2R,3R,4R,5S,6S)-6-[(R)-amino(hydroxy)methyl]-2,4,5-trihydroxyoxan-3-yl]acetamide.

Molecular Properties

Compound NameN-[(2R,3R,4R,5S,6S)-6-[(R)-amino(hydroxy)methyl]-2,4,5-trihydroxyoxan-3-yl]acetamide
PubChem CID154702648
Molecular FormulaC8H16N2O6
Molecular Weight236.22 g/mol
Exact Mass236.10
IUPAC NameN-[(2R,3R,4R,5S,6S)-6-[(R)-amino(hydroxy)methyl]-2,4,5-trihydroxyoxan-3-yl]acetamide
SMILESCC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H]([C@H](N)O)O[C@H]1O
InChIInChI=1S/C8H16N2O6/c1-2(11)10-3-4(12)5(13)6(7(9)14)16-8(3)15/h3-8,12-15H,9H2,1H3,(H,10,11)/t3-,4-,5+,6+,7-,8-/m1/s1
InChIKeyQJHQPHNHPGTBPF-YQOPPWPCSA-N
XLogP-3.79
TPSA145.27 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500236.22
LogP ≤ 5-3.79
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze N-[(2R,3R,4R,5S,6S)-6-[(R)-amino(hydroxy)methyl]-2,4,5-trihydroxyoxan-3-yl]acetamide with MolForge

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Related Compounds

N-[(2S,3S,4R,5R,6R)-2,4,5-trihydroxy-6-methyloxan-3-yl]acetamide
CID 156616201
N-[(2R,3S,4R,5S,6S)-5-amino-2,4-dihydroxy-6-methyloxan-3-yl]acetamide
CID 91851645
(2S,3R)-2-amino-3-hydroxybutanoic acid;N-[(3R,4R,5R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 159919167
N-[(2S,3R,4S,5R,6S)-5-acetamido-4,6-dihydroxy-2-methyloxan-3-yl]acetamide
CID 56927717
2-amino-3-hydroxypropanoic acid;N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 175012918
N-[(2S,3R,4S,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 11869611
N-[(4R,5R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 58718646
N-[(3S)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 16757753
(2S,3S,4R,5S,6R)-5-acetamido-3,4,6-trihydroxyoxane-2-carboxylate
CID 154586187
N-[(2R,3S,4S,5R,6S)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 11861101
N-[(3R,4S,5R,6S)-5-amino-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 139572683
[(3S,6R)-5-acetamido-3,4,6-trihydroxyoxan-2-yl]methyl acetate
CID 135070648

Frequently Asked Questions

What is the IUPAC name of N-[(2R,3R,4R,5S,6S)-6-[(R)-amino(hydroxy)methyl]-2,4,5-trihydroxyoxan-3-yl]acetamide?
The IUPAC name of N-[(2R,3R,4R,5S,6S)-6-[(R)-amino(hydroxy)methyl]-2,4,5-trihydroxyoxan-3-yl]acetamide (CID 154702648) is N-[(2R,3R,4R,5S,6S)-6-[(R)-amino(hydroxy)methyl]-2,4,5-trihydroxyoxan-3-yl]acetamide.
What is the SMILES notation for N-[(2R,3R,4R,5S,6S)-6-[(R)-amino(hydroxy)methyl]-2,4,5-trihydroxyoxan-3-yl]acetamide?
The canonical SMILES for N-[(2R,3R,4R,5S,6S)-6-[(R)-amino(hydroxy)methyl]-2,4,5-trihydroxyoxan-3-yl]acetamide is CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H]([C@H](N)O)O[C@H]1O.
What is the InChIKey of N-[(2R,3R,4R,5S,6S)-6-[(R)-amino(hydroxy)methyl]-2,4,5-trihydroxyoxan-3-yl]acetamide?
The InChIKey is QJHQPHNHPGTBPF-YQOPPWPCSA-N. The full InChI is InChI=1S/C8H16N2O6/c1-2(11)10-3-4(12)5(13)6(7(9)14)16-8(3)15/h3-8,12-15H,9H2,1H3,(H,10,11)/t3-,4-,5+,6+,7-,8-/m1/s1.
What are the key properties of N-[(2R,3R,4R,5S,6S)-6-[(R)-amino(hydroxy)methyl]-2,4,5-trihydroxyoxan-3-yl]acetamide?
N-[(2R,3R,4R,5S,6S)-6-[(R)-amino(hydroxy)methyl]-2,4,5-trihydroxyoxan-3-yl]acetamide has a molecular weight of 236.22 g/mol, XLogP of -3.79, 2 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3R,4R,5S,6S)-6-[(R)-amino(hydroxy)methyl]-2,4,5-trihydroxyoxan-3-yl]acetamide is sourced from PubChem (CID 154702648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).