Home > Compound List > Compound details
4229-38-3 molecular structure
click picture or here to close

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

ChemBase ID: 131523
Molecular Formular: C8H16N2O5
Molecular Mass: 220.22304
Monoisotopic Mass: 220.10592162
SMILES and InChIs

SMILES:
CC(=O)NC1C(C(C(OC1N)CO)O)O
Canonical SMILES:
OCC1OC(N)C(C(C1O)O)NC(=O)C
InChI:
InChI=1S/C8H16N2O5/c1-3(12)10-5-7(14)6(13)4(2-11)15-8(5)9/h4-8,11,13-14H,2,9H2,1H3,(H,10,12)
InChIKey:
MCGXOCXFFNKASF-UHFFFAOYSA-N

Cite this record

CBID:131523 http://www.chembase.cn/molecule-131523.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-[2-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
IUPAC Traditional name
N-[2-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
Synonyms
N-Acetyl-D-glucosylamine
2-Acetamido-1-amino-1,2-dideoxy-β-D-glucopyranose
CAS Number
4229-38-3
MDL Number
MFCD00057751
PubChem SID
162225801
PubChem CID
897

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
A7397 external link Add to cart Please log in.
Data Source Data ID
PubChem 897 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 12.507108  H Acceptors
H Donor LogD (pH = 5.5) -4.792502 
LogD (pH = 7.4) -3.4623196  Log P -3.3274562 
Molar Refractivity 48.6822 cm3 Polarizability 20.21645 Å3
Polar Surface Area 125.04 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
German water hazard class
3 expand Show data source
Storage Temperature
-20°C expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle