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Home > Encyclopedia > [(2R,4S,5S,5'R,6S,8R,11R)-6-hydroxy-11-(hydroxymethyl)-4',4',5',10-tetramethyl-3',9,12-trioxo-8,11-bis(sulfanyl)spiro[1,10-diazatricyclo[6.4.0.02,6]dodecane-4,2'-oxolane]-5-yl] acetate

[(2R,4S,5S,5'R,6S,8R,11R)-6-hydroxy-11-(hydroxymethyl)-4',4',5',10-tetramethyl-3',9,12-trioxo-8,11-bis(sulfanyl)spiro[1,10-diazatricyclo[6.4.0.02,6]dodecane-4,2'-oxolane]-5-yl] acetate

[(2R,4S,5S,5'R,6S,8R,11R)-6-hydroxy-11-(hydroxymethyl)-4',4',5',10-tetramethyl-3',9,12-trioxo-8,11-bis(sulfanyl)spiro[1,10-diazatricyclo[6.4.0.02,6]dodecane-4,2'-oxolane]-5-yl] acetate structure

[(2R,4S,5S,5'R,6S,8R,11R)-6-hydroxy-11-(hydroxymethyl)-4',4',5',10-tetramethyl-3',9,12-trioxo-8,11-bis(sulfanyl)spiro[1,10-diazatricyclo[6.4.0.02,6]dodecane-4,2'-oxolane]-5-yl] acetate 

structure
  • CAS No:

    86197-03-7

  • Formula:

    C20H28N2O8S2

  • Chemical Name:

    [(2R,4S,5S,5'R,6S,8R,11R)-6-hydroxy-11-(hydroxymethyl)-4',4',5',10-tetramethyl-3',9,12-trioxo-8,11-bis(sulfanyl)spiro[1,10-diazatricyclo[6.4.0.02,6]dodecane-4,2'-oxolane]-5-yl] acetate

  • Synonyms:

    86197-03-7;DTXSID901006638;Spiro(7H-cyclopenta(4,5)pyrrolo(1,2-a)pyrazine-7,2'(3'H)-furan)-1,3',4-trione, 8-(acetyloxy)decahydro-8a-hydroxy-3-(hydroxymethyl)-3,9a-dimercapto-2,4',4',5'-tetramethyl-, (3R-(3alpha,5abeta,7alpha(R*),8beta,8abeta,9aalpha))-;8a-Hydroxy-3-(hydroxymethyl)-2,4',4',5'-tetramethyl-1,3',4-trioxo-3,9a-bis(sulfanyl)decahydrospiro[cyclopenta[4,5]pyrrolo[1,2-a]pyrazine-7,2'-oxolan]-8-yl acetate

[(2R,4S,5S,5'R,6S,8R,11R)-6-hydroxy-11-(hydroxymethyl)-4',4',5',10-tetramethyl-3',9,12-trioxo-8,11-bis(sulfanyl)spiro[1,10-diazatricyclo[6.4.0.02,6]dodecane-4,2'-oxolane]-5-yl] acetate Basic Attributes

488.6 g/mol

488.12870820 g/mol

Characteristics

136 Ų

Computed Properties

Molecular Weight:488.6
XLogP3:-0.5
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:3
Exact Mass:488.12870820
Monoisotopic Mass:488.12870820
Topological Polar Surface Area:136
Heavy Atom Count:32
Complexity:945
Defined Atom Stereocenter Count:7
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Guide of [(2R,4S,5S,5'R,6S,8R,11R)-6-hydroxy-11-(hydroxymethyl)-4',4',5',10-tetramethyl-3',9,12-trioxo-8,11-bis(sulfanyl)spiro[1,10-diazatricyclo[6.4.0.02,6]dodecane-4,2'-oxolane]-5-yl] acetate

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