N-acetyl-alpha-D-galactosamine

C8H15NO6 — CID 84265

IUPACN-[(2S,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](O[C@@H]1O)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-CBQIKETKSA-N
MW221.21 g/mol
LogP-1.70
Rot. Bonds2

About N-acetyl-alpha-D-galactosamine

N-acetyl-alpha-D-galactosamine (PubChem CID 84265) has the molecular formula C8H15NO6 and a molecular weight of 221.21 g/mol. Its IUPAC name is N-[(2S,3R,4R,5R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide.

Molecular Properties

Compound NameN-acetyl-alpha-D-galactosamine
PubChem CID84265
Molecular FormulaC8H15NO6
Molecular Weight221.21 g/mol
Exact Mass221.09
IUPAC NameN-[(2S,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](O[C@@H]1O)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-CBQIKETKSA-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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Related Compounds

N-Acetyllactosamine
CID 439271
alpha-D-N-Acetylmannosamine
CID 644170
N-Acetyl-D-Glucosamine
CID 439174
N-acetyl-beta-D-galactosamine
CID 440552
N-Acetyl-D-Mannosamine
CID 439281
2-(Acetylamino)-2-deoxy-beta-D-mannopyranose
CID 11096158
N-Acetyl-Hexosamine
CID 899
N-Acetyl-Alpha-D-Glucosamine
CID 82313
N-ACETYL-beta-D-GLUCOSAMINE
CID 24139
beta-D-Manp-(1->4)-beta-D-GlcpNAc
CID 70698368
N-Acetyl-Muramic Acid
CID 5462244
N,N'-Diacetylchitobiose
CID 439544

Frequently Asked Questions

What is the IUPAC name of N-acetyl-alpha-D-galactosamine?
The IUPAC name of N-acetyl-alpha-D-galactosamine (CID 84265) is N-[(2S,3R,4R,5R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide.
What is the SMILES notation for N-acetyl-alpha-D-galactosamine?
The canonical SMILES for N-acetyl-alpha-D-galactosamine is CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1O)CO)O)O.
What is the InChIKey of N-acetyl-alpha-D-galactosamine?
The InChIKey is OVRNDRQMDRJTHS-CBQIKETKSA-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-alpha-D-galactosamine?
N-acetyl-alpha-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-alpha-D-galactosamine is sourced from PubChem (CID 84265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).