N-Acetyl-D-Galactosamine

C8H15NO6 — CID 35717

IUPACN-[(3R,4R,5R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
SMILESCC(=O)N[C@@H]1[C@H]([C@H]([C@H](OC1O)CO)O)O
InChIInChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6+,7-,8?/m1/s1
InChIKeyOVRNDRQMDRJTHS-KEWYIRBNSA-N
MW221.21 g/mol
LogP-1.70
Rot. Bonds2

About N-Acetyl-D-Galactosamine

N-Acetyl-D-Galactosamine (PubChem CID 35717) has the molecular formula C8H15NO6 and a molecular weight of 221.21 g/mol. Its IUPAC name is N-[(3R,4R,5R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide.

Molecular Properties

Compound NameN-Acetyl-D-Galactosamine
PubChem CID35717
Molecular FormulaC8H15NO6
Molecular Weight221.21 g/mol
Exact Mass221.09
IUPAC NameN-[(3R,4R,5R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
SMILESCC(=O)N[C@@H]1[C@H]([C@H]([C@H](OC1O)CO)O)O
InChIInChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6+,7-,8?/m1/s1
InChIKeyOVRNDRQMDRJTHS-KEWYIRBNSA-N
XLogP-1.70
TPSA119.00 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity235

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.21
LogP ≤ 5-1.70
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-Acetyl-D-Galactosamine?
The IUPAC name of N-Acetyl-D-Galactosamine (CID 35717) is N-[(3R,4R,5R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide.
What is the SMILES notation for N-Acetyl-D-Galactosamine?
The canonical SMILES for N-Acetyl-D-Galactosamine is CC(=O)N[C@@H]1[C@H]([C@H]([C@H](OC1O)CO)O)O.
What is the InChIKey of N-Acetyl-D-Galactosamine?
The InChIKey is OVRNDRQMDRJTHS-KEWYIRBNSA-N. The full InChI is InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6+,7-,8?/m1/s1.
What are the key properties of N-Acetyl-D-Galactosamine?
N-Acetyl-D-Galactosamine has a molecular weight of 221.21 g/mol, XLogP of -1.70, 2 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-Acetyl-D-Galactosamine is sourced from PubChem (CID 35717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).