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Home> Hot Product Listed F   > F5949-0480
481-20-9 structure

F5949-0480

Iupac Name:(5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene
CAS No.:481-20-9
Molecular Weight:372.681
Molecular Formula:C17H18N2O4S (isomer)
Names and Identifiers
Synonyms

2-(2-((4,6-dimethylpyrimidin-2-yl)amino)thiazol-4-yl)-n-methoxyacetamide AKOS024528187 MCULE-3056203183 MOLPORT-009-749-238 ZINC49029526

Inchi
InChI=1S/C27H48/c1-19(2)9-8-10-20(3)23-14-15-24-22-13-12-21-11-6-7-17-26(21,4)25(22)16-18-27(23,24)5/h19-25H,6-18H2,1-5H3/t20-,21+,22+,23-,24+,25+,26+,27-/m1/s1
InChkey
XIIAYQZJNBULGD-CJPSHIORSA-N
Canonical Smiles
CC(C)CCCC(C)C1CCC2C1(CCC3C2CCC4C3(CCCC4)C)C
Isomers Smiles
C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3
(CCCC4)C)C
Properties
Vapour
1.47E-07mmHg at 25°C
Refractive Index
1.492
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:372.681g/mol
  • Molecular Formula:C17H18N2O4S
  • Compound Is Canonicalized:True
  • Exact Mass:372.376
  • Monoisotopic Mass:372.376
  • Complexity:506
  • Rotatable Bond Count:5
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:0
  • Topological Polar Surface Area:0A^2
  • Heavy Atom Count:27
  • Defined Atom Stereocenter Count:8
  • 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: AAADcfB4AAAAAAAAAAAAAAAAAAAAAYAAAAAwYMAAAAAAAGDAAAAAGAAAAAAADwCAAAACAAAAAAAA AAAAAAAAAAAAAAAAAAAAAAAAAAIAAAAAAAAAAAAAAAEAgMAPgAAAAAAAAACAAAQAACAAAQAACAAA AA==
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