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Home> Hot Product Listed F   > F6007-0250
866607-35-4 structure

F6007-0250

Iupac Name:[(2R,3R,4R,5S,6S)-3,4,5-triacetyloxy-6-[3-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-4-methylphenyl]oxan-2-yl]methyl acetate
CAS No.:866607-35-4
Molecular Weight:612.665
Molecular Formula:C18H20N6O (isomer)
Names and Identifiers
Synonyms

AKOS024528941 MCULE-5276289227 MOLPORT-009-749-807 n-(2-(3-(2,4-dimethylthiazol-5-yl)-6-oxopyridazin-1(6h)-yl)ethyl)-4-methyl-1,2,3-thiadiazole-5-carboxamide VU0529391-1 ZINC49030824

Inchi
InChI=1S/C32H33FO9S/c1-17-6-7-23(14-24(17)15-26-12-13-28(43-26)22-8-10-25(33)11-9-22)29-31(40-20(4)36)32(41-21(5)37)30(39-19(3)35)27(42-29)16-38-18(2)34/h6-14,27,29-32H,15-16H2,1-5H3/t27-,29+,30-,31+,32+/m1/s1
InChkey
XYBGJUIUCFENGS-IFUGWHCZSA-N
Canonical Smiles
CC1=C(C=C(C=C1)C2C(C(C(C(O2)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)CC3=CC=C(S3)C4=CC=C(C=C4)F
Computational chemical data
  • Molecular Weight:612.665g/mol
  • Molecular Formula:C18H20N6O
  • Compound Is Canonicalized:True
  • Exact Mass:612.183
  • Monoisotopic Mass:612.183
  • Complexity:986
  • Rotatable Bond Count:13
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:11
  • Topological Polar Surface Area:143A^2
  • Heavy Atom Count:43
  • Defined Atom Stereocenter Count:5
  • 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: AAADcfB8PQBAAAAAAAAAAAAAAAAAASAAAAA0YIAAAAAAAAAB0AAAGwQAAAAADBSg2AoyCYAABAiM AiDSCAADAIAgCBBIiBgACIgJJiKgMRiCMAAlwAEqqAfA4PwOwAACAAAQAACAAAQAACAAAAAAAAAA AA==
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