Trihexosylceramide (d18:1/12:0)

Base Information

• Chemical Name: Trihexosylceramide (d18:1/12:0)
• CAS No.: 474943-80-1
• Molecular Formula: C42H79NO13
• Molecular Weight: 806.1
• UNII: MEC7YDL92Q
• Mol file: 474943-80-1.mol

Synonyms:474943-80-1;MEC7YDL92Q;D-Lactosyl--1,1' N-lauroyl-D-erythro-sphingosine;Trihexosylceramide (d18:1/12:0);N-[(E,2S,3R)-1-[(2R,3R,4R,5S,6R)-3,4-Dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxyoctadec-4-en-2-yl]dodecanamide;N-((2R,3R)-1-((2S,3S,4S,5S,6S)-6-(Hydroxymethyl)-5-((2R,3S,4R,5S,6S)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl)oxy-3,4-bis(oxidanyl)oxan-2-yl)oxy-3-oxidanyl-octadec-4-en-2-yl)dodecanamide;N-((2S,3R,4E)-1-(((2R,3R,4R,5S,6R)-3,4-Dihydroxy-6-(hydroxymethyl)-5-(((2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy)oxan-2-yl)oxy)-3-hydroxyoctadec-4-en-2-yl)dodecanamide;Dodecanamide, N-((1S,2R,3E)-1-(((4-o-beta-D-galactopyranosyl-beta-D-glucopyranosyl)oxy)methyl)-2-hydroxy-3-heptadecen-1-yl)-;Dodecanamide, N-[(1S,2R,3E)-1-[[(4-O-beta-D-galactopyranosyl-beta-D-glucopyranosyl)oxy]methyl]-2-hydroxy-3-heptadecen-1-yl]-;UNII-MEC7YDL92Q;Lactosyl ((2)) C12 Ceramide;ZTA94380;Lactosyl ceramide (d18:1/12:0);HY-W341625;CS-0452739;N-(Dodecanoyl)-1-beta-lactosyl-sphing-4-ene;N-(dodecanoyl)-1-beta-lactosyl-sphing-4-enine;D-lactosyl-beta-1,1' N-lauroyl-D-erythro-sphingosine;N-(DODECANOYL)-1-.BETA.-LACTOSYL-SPHING-4-ENE;DODECANAMIDE, N-((1S,2R,3E)-1-(((4-O-.BETA.-D-GALACTOPYRANOSYL-.BETA.-D-GLUCOPYRANOSYL)OXY)METHYL)-2-HYDROXY-3-HEPTADECEN-1-YL)-;Dodecanamide,N-[(1S,2R,3E)-1-[[(4-O-beta-D-galactopyranosyl-beta-D-glucopyranosyl)oxy]methyl]-2-hydroxy-3-heptadecen-1-yl]-

Chemical Property of Trihexosylceramide (d18:1/12:0)

Chemical Property:

• Appearance/Colour: Solid
• PKA: 12.79±0.70(Predicted)
• XLogP3: 7
• Hydrogen Bond Donor Count: 9
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 32
• Exact Mass: 805.55514157
• Heavy Atom Count: 56
• Complexity: 1010

Purity/Quality:

>99% ^*data from raw suppliers

D-LACTOSYL-BETA-1,1'-N-LAUROYL-D-ERYTHRO-SPHINGOSINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCCCCCCCCCCCC=CC(C(COC1C(C(C(C(O1)CO)OC2C(C(C(C(O2)CO)O)O)O)O)O)NC(=O)CCCCCCCCCCC)O
• Isomeric SMILES: CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O)O)NC(=O)CCCCCCCCCCC)O