Home > Compound List > Compound details
27963-98-0 molecular structure
click picture or here to close

(3aR,5R,6S)-2-amino-5-(hydroxymethyl)-3aH,5H,6H,6aH-furo[2,3-d][1,3]oxazol-6-ol

ChemBase ID: 160229
Molecular Formular: C6H10N2O4
Molecular Mass: 174.1546
Monoisotopic Mass: 174.06405681
SMILES and InChIs

SMILES:
[C@H]1(O)[C@@H](CO)O[C@H]2N=C(OC12)N
Canonical SMILES:
OC[C@H]1O[C@@H]2C([C@H]1O)OC(=N2)N
InChI:
InChI=1S/C6H10N2O4/c7-6-8-5-4(12-6)3(10)2(1-9)11-5/h2-5,9-10H,1H2,(H2,7,8)/t2-,3+,4?,5-/m1/s1
InChIKey:
IVFVSTOFYHUJRU-YQWWZGPCSA-N

Cite this record

CBID:160229 http://www.chembase.cn/molecule-160229.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(3aR,5R,6S)-2-amino-5-(hydroxymethyl)-3aH,5H,6H,6aH-furo[2,3-d][1,3]oxazol-6-ol
IUPAC Traditional name
(3aR,5R,6S)-2-amino-5-(hydroxymethyl)-3aH,5H,6H,6aH-furo[2,3-d][1,3]oxazol-6-ol
Synonyms
(3aR,5R,6R,6aS)-2-Amino-3a,5,6,6a-tetrahydro-6-hydroxy-furo[2,3-d]oxazole-5-methanol
NSC 139108
O,N-Aminomethanylylidene-β-D-arabinofuranose
CAS Number
27963-98-0
PubChem SID
162254364
PubChem CID
46780297

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC A611940 external link Add to cart
PubChem 46780297 external link
Data Source Data ID Price
TRC
A611940 external link Add to cart Please log in.
Data Source Data ID
PubChem 46780297 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 12.938283  H Acceptors
H Donor LogD (pH = 5.5) -1.4480323 
LogD (pH = 7.4) -1.4160347  Log P -1.4156097 
Molar Refractivity 36.8726 cm3 Polarizability 15.041739 Å3
Polar Surface Area 97.3 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
DMF expand Show data source
Water expand Show data source
Apperance
White Solid expand Show data source
Melting Point
181-182°C expand Show data source
MSDS Link
Download expand Show data source
Certificate of Analysis
Download 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