5-Dideoxy-D-Glycero-alpha-D-Galacto-2-Nonulopyranosonic Acid 5-(Acetylamino)-3 (3beta)-Cholest-5-En-3-Yl Ester
[CAS# 113108-90-0]

Identification

• Name: 5-Dideoxy-D-Glycero-alpha-D-Galacto-2-Nonulopyranosonic Acid 5-(Acetylamino)-3 (3beta)-Cholest-5-En-3-Yl Ester
• Synonyms: (2R,4S,5R,6R)-5-Acetamido-2-[[(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]-4-Hydroxy-6-[(1R,2R)-1,2,3-Trihydroxypropyl]Tetrahydropyran-2-Carboxylic Acid; (2R,4S,5R,6R)-5-Acetamido-2-[[(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]-4-Hydroxy-6-[(1R,2R)-1,2,3-Trihydroxypropyl]-2-Tetrahydropyrancarboxylic Acid; D-Glycero-Alpha-D-Galacto-2-Nonulopyranosonic Acid, 5-(Acetylamino)-3,5-Dideoxy-, (3Beta)-Cholest-5-En-3-Yl Ester
• Molecular Formula: C₃₈H₆₃NO₉
• Molecular Weight: 677.92
• CAS Registry Number: 113108-90-0
• SMILES: [C@H]45[C@H]1[C@@H]([C@@]3(C(=CC1)C[C@@H](O[C@]2(O[C@H]([C@H](NC(=O)C)[C@@H](O)C2)[C@H](O)[C@H](O)CO)C(=O)O)CC3)C)CC[C@@]4([C@H](CC5)[C@@H](CCCC(C)C)C)C
• InChI: 1S/C38H63NO9/c1-21(2)8-7-9-22(3)27-12-13-28-26-11-10-24-18-25(14-16-36(24,5)29(26)15-17-37(27,28)6)47-38(35(45)46)19-30(42)32(39-23(4)41)34(48-38)33(44)31(43)20-40/h10,21-22,25-34,40,42-44H,7-9,11-20H2,1-6H3,(H,39,41)(H,45,46)/t22-,25+,26+,27-,28+,29+,30+,31-,32-,33-,34-,36+,37-,38-/m1/s1
• InChIKey: GCQWCBFLOFFTJT-CANRKIPKSA-N

Properties

• Density: 1.222g/cm³ (Cal.)
• Boiling point: 855.806°C at 760 mmHg (Cal.)
• Flash point: 471.374°C (Cal.)