Products
  • Products
  • Buy offers
  • Encyclopedia
  • Msds lib
  • Synthesis
  • Reach Info
  • Suppliers
Home> Encyclopedia > Hot Product Listed 6   > 6H-Purin-6-one,1,9-dihydro-9-[2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-, (2S-trans)- (9CI)
70851-61-5 structure

6H-Purin-6-one,1,9-dihydro-9-[2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-, (2S-trans)- (9CI)

CAS No.:70851-61-5
Molecular Weight:182.25942
Molecular Formula:C17H14O6 (isomer)
Names and Identifiers
Synonyms

Inchi
InChI=1/C11H18O2/c1-3-4-5-6-8-11(2)9-7-10(12)13-11/h4-5H,3,6-9H2,1-2H3/b5-4-
Canonical Smiles
CCC=CCCC1(CCC(=O)O1)C
Isomers Smiles
CC/C=C/CCC1(CCC(=O)O1)C
Properties
Density
1.457
Refractive Index
1.461
Safety and Handling
Safety Statements
Low toxicity by ingestion and skin contact. When heated to decomposition it emits acrid smoke and irritating vapors.
Computational chemical data
  • Molecular Weight:182.25942g/mol
  • Molecular Formula:C17H14O6
  • Exact Mass:182.13068
  • Monoisotopic Mass:182.13068
  • Complexity:208
  • Rotatable Bond Count:4
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:26.3
  • Heavy Atom Count:13
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:1
  • Defined Bond Stereocenter Count:1
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
Recommended Suppliers
  • Tel:(33) 4 70 03 88 55
  • Fax:(33) 4 70 03 82 60
  • Tel:+1-973-740-2300
  • Fax:+1-973-740-1839
  • Tel:(203) 830-4000
  • Fax:1-203-830-4010
  • Tel:1-631-398-3562
  • Fax:1-631-207-8356
  • Tel:+1-(203)-830-4000
  • Fax:+1-(203)-830-4005
Recommended Suppliers
  • Tel:(33) 4 70 03 88 55
  • Fax:(33) 4 70 03 82 60
  • Tel:+1-973-740-2300
  • Fax:+1-973-740-1839
  • Tel:(203) 830-4000
  • Fax:1-203-830-4010
  • Tel:1-631-398-3562
  • Fax:1-631-207-8356
  • Tel:+1-(203)-830-4000
  • Fax:+1-(203)-830-4005
 
<