(1R,2R,3R,4S,5R,6R)-5-[(2R,3R,4R,5S,6R)-3-azanyl-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-6-hexadecoxy-cyclohexane-1,2,3,4-tetrol

Systemtic Name: (1R,2R,3R,4S,5R,6R)-5-[(2R,3R,4R,5S,6R)-3-azanyl-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-6-hexadecoxy-cyclohexane-1,2,3,4-tetrol Openeye Name: (1R,2R,3R,4S,5R,6R)-5-[(2R,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-6-hexadecoxy-cyclohexane-1,2,3,4-tetrol CAS Name: (1R,2R,3R,4S,5R,6R)-5-[[(2R,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-6-hexadecoxycyclohexane-1,2,3,4-tetrol IUPAC Name: (1R,2R,3R,4S,5R,6R)-5-[(2R,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-hexadecoxycyclohexane-1,2,3,4-tetrol Traditional Name: (1R,2R,3R,4S,5R,6R)-5-[(2R,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-6-cetyloxy-cyclohexane-1,2,3,4-tetrol Formula: C28H55NO10 MolecularWeight: 565.737

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1C(C(C(C(C1OC2C(C(C(C(O2)CO)O)O)N)O)O)O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCO[C@@H]1[C@@H]([C@@H]([C@H]([C@@H]([C@H]1O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)N)O)O)O)O

InChI

InChI=1S/C28H55NO10/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-37-26-24(35)22(33)23(34)25(36)27(26)39-28-19(29)21(32)20(31)18(17-30)38-28/h18-28,30-36H,2-17,29H2,1H3/t18-,19-,20-,21-,22-,23-,24-,25+,26-,27-,28-/m1/s1