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Home> Encyclopedia > Hot Product Listed 5   > 5'-Uridylic acid,2'-deoxy-, mono[(3b,7b)-7-hydroxycholest-5-en-3-yl]ester, monosodium salt (9CI)
1126369-40-1 structure

5'-Uridylic acid,2'-deoxy-, mono[(3b,7b)-7-hydroxycholest-5-en-3-yl]ester, monosodium salt (9CI)

Iupac Name:N-(5-cyano-2-methylphenyl)-4-(pyridin-2-ylmethoxy)benzamide
CAS No.:1126369-40-1
Molecular Weight:343.386
Molecular Formula:C30H35NO9 (isomer)
Names and Identifiers
Synonyms

3-(7beta-hydroxycholesteryl) 5'-(2'-deoxyuridylyl)monophosphate 5'-uridylic acid, 2'-deoxy-, mono((3beta,7beta)-7-hydroxycholest-5-en-3-yl) ester, monosodium salt A16010 AC1L4UFS AC1Q1W1L Cholestane,5'-uridylic acid deriv. jb 69 jb-69 PL043846 sodium {[5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy}({[9-hydroxy-2,15-dimethyl-14-(6-methylheptan-2-yl)tetracyclo[8.7.0.0(2),?.0(1)(1),(1)?]heptadec-7-en-5-yl]oxy})phosphinic acid

Inchi
InChI=1S/C21H17N3O2/c1-15-5-6-16(13-22)12-20(15)24-21(25)17-7-9-19(10-8-17)26-14-18-4-2-3-11-23-18/h2-12H,14H2,1H3,(H,24,25)
InChkey
AXUYVUMXFXGBPA-UHFFFAOYSA-N
Canonical Smiles
CC1=C(C=C(C=C1)C#N)NC(=O)C2=CC=C(C=C2)OCC3=CC=CC=N3
Properties
Density
1.047
Boiling Point
510.4°Cat760mmHg
Flash Point
204.2°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

Computational chemical data
  • Molecular Weight:343.386g/mol
  • Molecular Formula:C30H35NO9
  • Compound Is Canonicalized:True
  • Exact Mass:343.132
  • Monoisotopic Mass:343.132
  • Complexity:507
  • Rotatable Bond Count:5
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:75A^2
  • Heavy Atom Count:26
  • Defined Atom Stereocenter Count:0
  • 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: AAADceB7MAAAAAAAAAAAAAAAAAAAAAAAAAA8YIAAAAAAAAAB0AAAHgAQAAAADAzhngY+xpLIFAC4 BzV3VASiiCA1IiAI2CE+bNgOpvLEtZuHOSjk1BHY6Y+Y3ALOYAAAQAACAADAAACAAAQAAAAAAAAA AA==
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