Loading
PDBj
MenuPDBj@FacebookPDBj@X(formerly Twitter)PDBj@BlueSkyPDBj@YouTubewwPDB FoundationwwPDBDonate
RCSB PDBPDBeBMRBAdv. SearchSearch help

1D2

Summary
Name:CYCLODODECYL 3,4,6-TRIDEOXY-3-(DIMETHYLAMINO)-BETA-D-XYLO-HEXOPYRANOSIDE
Formula:C20 H39 N O3
Formal charge:0
Formula weight:341.529 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs10.04cyclododecyl 3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranoside
OpenEye OEToolkits1.6.1(2S,3R,4S,6R)-2-cyclododecyloxy-4-dimethylamino-6-methyl-oxan-3-ol

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O(C1CCCCCCCCCCC1)C2OC(CC(N(C)C)C2O)C
SMILES_CANONICALCACTVS3.352C[C@@H]1C[C@@H]([C@@H](O)[C@@H](O1)OC2CCCCCCCCCCC2)N(C)C
SMILESCACTVS3.352C[CH]1C[CH]([CH](O)[CH](O1)OC2CCCCCCCCCCC2)N(C)C
SMILES_CANONICALOpenEye OEToolkits1.6.1C[C@@H]1C[C@@H]([C@H]([C@@H](O1)OC2CCCCCCCCCCC2)O)N(C)C
SMILESOpenEye OEToolkits1.6.1CC1CC(C(C(O1)OC2CCCCCCCCCCC2)O)N(C)C
InChIInChI1.03InChI=1S/C20H39NO3/c1-16-15-18(21(2)3)19(22)20(23-16)24-17-13-11-9-7-5-4-6-8-10-12-14-17/h16-20,22H,4-15H2,1-3H3/t16-,18+,19-,20+/m1/s1
InChIKeyInChI1.03KZKWNNFETLOBHX-MDNKFWRPSA-N

248636

PDB entries from 2026-02-04

PDB statisticsPDBj update infoContact PDBjnumon