Cas no 174176-93-3 ((2S,3R,4E,8E,2'R)-1-O-(beta-D-glucopyranosyl)-N-(2'-hydroxyoctadecanoyl)-4,8-sphingadienine)
174176-93-3 structure
Product Name:(2S,3R,4E,8E,2'R)-1-O-(beta-D-glucopyranosyl)-N-(2'-hydroxyoctadecanoyl)-4,8-sphingadienine
CAS No:174176-93-3
MF:C42H79NO9
MW:742.077974557877
CID:2021377
Update Time:2025-04-10
(2S,3R,4E,8E,2'R)-1-O-(beta-D-glucopyranosyl)-N-(2'-hydroxyoctadecanoyl)-4,8-sphingadienine Chemical and Physical Properties
Names and Identifiers
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- (2S,3R,4E,8E,2'R)-1-O-(beta-D-glucopyranosyl)-N-(2'-hydroxyoctadecanoyl)-4,8-sphingadienine
- 1-O-(beta-D-glucopyranosyl)-(2S,3R,4E,8E)-2-[(2R)-2-hydroxyoctadecanoylamino]-1,3-dihydroxy-4,8-octadecadiene
- 1-O-beta-D-glucopyranosyl-(2S,3R,4E,8E)-2-[(2'R)-hydroxyoctadecanoylamino]-4,8-octadecadiene-1,3-diol
- Cerebroside 5
- (+)-JCer 1
- Octadecanamide, N-[(1S,2R,3E,7E)-1-[(β-D-glucopyranosyloxy)methyl]-2-hydroxy-3,7-heptadecadien-1-yl]-2-hydroxy-, (2R)-
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- Inchi： 1S/C42H79NO9/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-36(46)41(50)43-34(33-51-42-40(49)39(48)38(47)37(32-44)52-42)35(45)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h20,22,28,30,34-40,42,44-49H,3-19,21,23-27,29,31-33H2,1-2H3,(H,43,50)/b22-20-,30-28-
- InChI Key： BLFKVICPDXPVLY-VRPXPJFVSA-N
- SMILES： CCCCCCCCCCCCCCCCC(C(NC(C(/C=C\CC/C=C\CCCCCCCCC)O)COC1C(O)C(O)C(O)C(CO)O1)=O)O
Computed Properties
- Hydrogen Bond Donor Count: 7
- Hydrogen Bond Acceptor Count: 10
- Heavy Atom Count: 52
- XLogP3: 12.967
Experimental Properties
- Density: 1.08±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)
- Melting Point: 182-184 °C
- Boiling Point: 884.1±65.0 °C(predicted)
- pka: 12.89±0.70(predicted)
(2S,3R,4E,8E,2'R)-1-O-(beta-D-glucopyranosyl)-N-(2'-hydroxyoctadecanoyl)-4,8-sphingadienine Related Literature
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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