6-[(3β)-Cholest-5-En-3-Yloxy]Hexyl 6-Amino-6-Deoxy-1-Thio-Alpha-D-Mannopyranoside

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Properties Simple | Detailed

Formula C39H69NO5S
IUPAC Name ammonia; hydrogen sulfide; (3s,8s,9s,10r,13r,14s,17r)-3-methoxy-10,13-dimethyl-17-[(1r)-1-methylpentyl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthrene; tetrahydrate
Molecular Mass 664.034 g·mol−1
Heat of Formation -1306.1 ± 16.7 kJ·mol−1
Dipole Moment 1.50 ± 1.08 D
Volume 876.76 Å 3
Surface Area 710.27 Å 2
HOMO Energy -8.84 ± 0.55 eV
LUMO Energy -0.21 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3s,4s,5s,6r)-2-(aminomethyl)-6-[6-[[(3s,8s,9s,10r,13r,14s,17r)-10,13-dimethyl-17-[(2r)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-yl]oxy]hexylsulfanyl]oxane-3,4,5-triol
  • (2r,3s,4s,5s,6r)-2-(aminomethyl)-6-[6-[[(3s,8s,9s,10r,13r,14s,17r)-17-[(1r)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-yl]oxy]hexylsulfanyl]tetrahydropyran-3,4,5-triol
  • (2r,3s,4s,5s,6r)-2-(aminomethyl)-6-[6-[[(3s,8s,9s,10r,13r,14s,17r)-17-[(1r)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-yl]oxy]hexylthio]tetrahydropyran-3,4,5-triol
  • 6-(5-cholesten-3beta-yloxy)hexyl 1-thio-6-amino-6-deoxy-d-mannopyranoside
  • 6-(cholest-5-en-3-beta-yloxy)hexyl-6-amino-6-deoxy-1-thio-alpha-d-mannopyranoside
  • 6-coham
  • alpha-d-mannopyranoside, 6-(((3beta)-cholest-5-en-3-yl)oxy)hexyl 6-amino-6-deoxy-1-thio-
  • l 644257
  • l-644257
  • nmanchol
CAS Number(s)
  • 68354-99-4
InChIKey SQGBPXZJXZCRMK-LFMDNDDKSA-N
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