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3,5,6,10,16-Pentahydroxygrayanotoxan-14-yl 3-chloropropanoate

Base Information
  • Chemical Name:3,5,6,10,16-Pentahydroxygrayanotoxan-14-yl 3-chloropropanoate
  • CAS No.:84849-13-8
  • Molecular Formula:C23H37ClO7
  • Molecular Weight:460.9887
  • Hs Code.:
  • DSSTox Substance ID:DTXSID201005122
3,5,6,10,16-Pentahydroxygrayanotoxan-14-yl 3-chloropropanoate

Synonyms:84849-13-8;DTXSID201005122;LS-90763;3,5,6,10,16-Pentahydroxygrayanotoxan-14-yl 3-chloropropanoate

Suppliers and Price of 3,5,6,10,16-Pentahydroxygrayanotoxan-14-yl 3-chloropropanoate
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Chemical Property of 3,5,6,10,16-Pentahydroxygrayanotoxan-14-yl 3-chloropropanoate
Chemical Property:
  • Vapor Pressure:1.09E-16mmHg at 25°C 
  • Boiling Point:596°Cat760mmHg 
  • Flash Point:314.3°C 
  • Density:1.36g/cm3 
  • XLogP3:1.4
  • Hydrogen Bond Donor Count:5
  • Hydrogen Bond Acceptor Count:7
  • Rotatable Bond Count:4
  • Exact Mass:460.2227812
  • Heavy Atom Count:31
  • Complexity:760
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MSDS Files:

SDS file from LookChem

Useful:
  • Canonical SMILES:CC1(C(CC2C1(C(CC34CC(C(C3OC(=O)CCCl)CCC4C2(C)O)(C)O)O)O)O)C
  • Isomeric SMILES:C[C@]1(CC23C[C@H]([C@]4([C@@H](C[C@@H](C4(C)C)O)[C@]([C@@H]2CC[C@H]1C3OC(=O)CCCl)(C)O)O)O)O
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