Products
  • Products
  • Buy offers
  • Encyclopedia
  • Msds lib
  • Synthesis
  • Reach Info
  • Suppliers
Home> Encyclopedia > Hot Product Listed 6   > 6H-Purin-6-one,3,7-dihydro-3-b-D-ribofuranosyl-(9CI)
1118-89-4 structure

6H-Purin-6-one,3,7-dihydro-3-b-D-ribofuranosyl-(9CI)

Iupac Name:diethyl (2S)-2-aminopentanedioate hydrochloride
CAS No.:1118-89-4
Molecular Weight:239.69652
Molecular Formula:C13H13N5OS2 (isomer)
Names and Identifiers
Synonyms

3-(|a-d-ribofuranosyl)-3,7-dihydro-6h-purin-6-one 3-(beta-d-ribofuranosyl)-3h-purin-6(7h)-one 3-(beta-d-ribofuranosyl)hypoxanthine 3-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-7h-purin-6-one 3-beta-d-ribofuranosylhypoxanthine 3-isoinosine 3-ribofuranosyl-1,6-dihydro-3h-purin-6-one 3-ribofuranosylhypoxanthine 6835-54-7 6h-purin-6-one, 3,7-dihydro-3-beta-d-ribofuranosyl- AC1L4W8W AC1Q6CZM Hypoxanthine,3-b-D-ribofuranosyl- (7CI,8CI) NU005340

Inchi
InChI=1/C9H17NO4.ClH/c1-3-13-8(11)6-5-7(10)9(12)14-4-2;/h7H,3-6,10H2,1-2H3;1H/t7-;/m0./s1
Canonical Smiles
CCOC(=O)CCC(C(=O)OCC)N.Cl
Isomers Smiles
CCOC(=O)CC[C@@H](C(=O)OCC)N.Cl
Properties
Density
1.478
Melting Point
113-115℃
Boiling Point
594.4°C at 760 mmHg
Vapour
0.0112mmHg at 25°C
Refractive Index
22.5 ° (C=3.6, EtOH)
Flash Point
246°C
HS Code
2922499990
Safety and Handling
Safety Statements
24/25
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Hazardous to the aquatic environment, short-term (Acute) - Category Acute 1

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H400 Very toxic to aquatic life

Precautionary statement(s)
Prevention

P273 Avoid release to the environment.

Response

P391 Collect spillage.

Storage

none

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:239.69652g/mol
  • Molecular Formula:C13H13N5OS2
  • Exact Mass:239.092436
  • Monoisotopic Mass:239.092436
  • Complexity:193
  • Rotatable Bond Count:8
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:5
  • Topological Polar Surface Area:78.6
  • Heavy Atom Count:15
  • Defined Atom Stereocenter Count:1
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:2
Recommended Suppliers
  • Tel:86-21-15301650010
  • Fax:86-21-61263399
  • Tel:86-571-88938639
  • Fax:86-571-88938652
  • Tel:86-571-87758773
  • Fax:86-571-86821328
  • Tel:86-571-85829152
  • Fax:86-571-85829153
  • Tel:86-25-83697070
  • Fax:86-25-83453275
  • Tel:86-571-87396430
  • Fax:86-571-87396431
  • Tel:86-136-71516988
  • Fax:86-21-24280809
  • Tel:86-189-30085436
  • Fax:86-21-24280809
  • Tel:86-755-33239182
  • Fax:86-755-33233381
  • Tel:86-519-88721665
  • Fax:86-519-88495082
Recommended Suppliers
  • Tel:86-21-15301650010
  • Fax:86-21-61263399
  • Tel:86-571-88938639
  • Fax:86-571-88938652
  • Tel:86-571-87758773
  • Fax:86-571-86821328
  • Tel:86-571-85829152
  • Fax:86-571-85829153
  • Tel:86-25-83697070
  • Fax:86-25-83453275
  • Tel:86-571-87396430
  • Fax:86-571-87396431
  • Tel:86-136-71516988
  • Fax:86-21-24280809
  • Tel:86-189-30085436
  • Fax:86-21-24280809
  • Tel:86-755-33239182
  • Fax:86-755-33233381
  • Tel:86-519-88721665
  • Fax:86-519-88495082
 
<