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Home > Encyclopedia > disodium;[(3S,5S,6S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-3-sulfonatooxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-6-yl] sulfate

disodium;[(3S,5S,6S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-3-sulfonatooxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-6-yl] sulfate

disodium;[(3S,5S,6S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-3-sulfonatooxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-6-yl] sulfate structure

disodium;[(3S,5S,6S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-3-sulfonatooxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-6-yl] sulfate 

structure
  • CAS No:

    141677-53-4

  • Formula:

    C27H46Na2O8S2

  • Chemical Name:

    disodium;[(3S,5S,6S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-3-sulfonatooxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-6-yl] sulfate

  • Synonyms:

    5 alpha-cholestan-3 beta,6 alpha-diyl disulfate;cholest-3,6-di-SO4;cholestan-3,6-diyl disulfate;cholestan-3,6-diyl disulfate, disodium salt;141677-53-4;Cholestan-3,6-diyl disulfate;Cholest-3,6-di-SO4;DTXSID10931159;Disodium cholestane-3,6-diyl disulfate;5alpha-Cholestan-3beta,6alpha-diyl disulfate;Cholestan-3,6-diyl disulfate, disodium salt

disodium;[(3S,5S,6S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-3-sulfonatooxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-6-yl] sulfate Basic Attributes

608.8 g/mol

608.24294933 g/mol

Characteristics

150 Ų

Drug Information

5 alpha-cholestan-3 beta,6 alpha-diyl disulfate

Computed Properties

Molecular Weight:608.8
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:7
Exact Mass:608.24294933
Monoisotopic Mass:608.24294933
Topological Polar Surface Area:150
Heavy Atom Count:39
Complexity:989
Defined Atom Stereocenter Count:10
Covalently-Bonded Unit Count:3
Compound Is Canonicalized:Yes

Guide of disodium;[(3S,5S,6S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-3-sulfonatooxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-6-yl] sulfate

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