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Home> Encyclopedia > Hot Product Listed X   > Xanthosine,2',3'-dideoxy- (9CI)
132194-28-6 structure

Xanthosine,2',3'-dideoxy- (9CI)

Iupac Name:9-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-3H-purine-2,6-dione
CAS No.:132194-28-6
Molecular Weight:252.23
Molecular Formula:C10H12N4O4 (isomer)
Names and Identifiers
Synonyms

194d286 2',3'-dideoxyxanthosine 9-(2,3-Dideoxy-.beta.-D-glycero-pentofuranosyl)-9H-xanthosine 9-(2,3-dideoxy-beta-d-glycero-pentofuranosyl)-9h-xanthosine 9-[(2R,5S)-5-(Hydroxymethyl)oxolan-2-yl]-3H-purine-2,6-dione 9-[(2r,5s)-5-(hydroxymethyl)tetrahydrofuran-2-yl]-3h-purine-2,6-dione AC1L9QR3 Aids002850 Aids-002850 AN-32204 CHEMBL2112188 DTXSID80157420 NU001393 NU006469 SCHEMBL10438025 W-201068 xanthosine, 2',3'-dideoxy- ZINC6585332

Inchi
InChI=1S/C10H12N4O4/c15-3-5-1-2-6(18-5)14-4-11-7-8(14)12-10(17)13-9(7)16/h4-6,15H,1-3H2,(H2,12,13,16,17)/t5-,6+/m0/s1
InChkey
PDCOZUSCDLLKIV-NTSWFWBYSA-N
Canonical Smiles
C1CC(OC1CO)N2C=NC3=C2NC(=O)NC3=O
Isomers Smiles
C1C[C@@H](O[C@@H]1CO)N2C=NC3=C2NC(=O)NC3=O
Properties
Density
1.91
Boiling Point
°Cat760mmHg
Refractive Index
1.837
Flash Point
°C
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s) no data available
Signal word

no data available

Hazard statement(s)

no data available

Precautionary statement(s)
Prevention

no data available

Response

no data available

Storage

no data available

Disposal

no data available

2.3 Other hazards which do not result in classification

no data available

Precursor and Product
precursor:
146-80-5
146-80-5
Computational chemical data
  • Molecular Weight:252.23g/mol
  • Molecular Formula:C10H12N4O4
  • Compound Is Canonicalized:True
  • XLogP3-AA:_0.7
  • Exact Mass:252.086
  • Monoisotopic Mass:252.086
  • Complexity:377
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:3
  • Hydrogen Bond Acceptor Count:5
  • Topological Polar Surface Area:106A^2
  • Heavy Atom Count:18
  • Defined Atom Stereocenter Count:2
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADccBzuAAAAAAAAAAAAAAAAAAAAWJAAAAsAAAAAAAAAFgBgAAAHgAQCAAACBzhlgYFsBfMFgCo AQdxdACAgC0XEKABUAGoVECBWApAyCAeQIgMBSLDAGCwMAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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