Cas no 152247-25-1 ((2R)-2-Hydroxy-N-[(2S,3R,4E,8E,10E)-3-hydroxy-9-methyl-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadeca-4,8,10-trien-2-yl]docosanamide)
152247-25-1 structure
Product Name:(2R)-2-Hydroxy-N-[(2S,3R,4E,8E,10E)-3-hydroxy-9-methyl-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadeca-4,8,10-trien-2-yl]docosanamide
CAS No:152247-25-1
MF:C47H87NO9
MW:810.194996118546
CID:226855
PubChem ID:11765892
Update Time:2024-03-01
(2R)-2-Hydroxy-N-[(2S,3R,4E,8E,10E)-3-hydroxy-9-methyl-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadeca-4,8,10-trien-2-yl]docosanamide Chemical and Physical Properties
Names and Identifiers
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- Docosanamide,N-[(1S,2R,3E,7E,9E)-1-[(b-D-glucopyranosyloxy)methyl]-2-hydroxy-8-methyl-3,7,9-heptadecatrien-1-yl]-2-hydroxy-,(2R)-
- Docosanamide,N-[(1S,2R,3E,7E,9E)-1-[(b-D-glucopyranosyloxy)methyl]-2-hydroxy-8-methyl-3,7,9-heptadecatrien-1-yl]-2-hydroxy-,(
- Docosanamide, N-[1-[(b-D-glucopyranosyloxy)methyl]-2-hydroxy-8-methyl-3,7,9-heptadecatrienyl]-2-hydroxy-,[1S-[1R*(S*),2S*,3E,7E,9E]]-
- Docosanamide,N-[(1S,2R,3E,7E,9E)-1-[(b-D-glucopyranosyloxy)methyl]-2-hydroxy-8-methyl-3,7,9-heptadecatrienyl]-2-hydroxy-,(2R)- (9CI)
- Ophidiacerebroside C
- (2R)-2-Hydroxy-N-[(2S,3R,4E,8E,10E)-3-hydroxy-9-methyl-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydro
- 152247-25-1
- DTXSID101103458
- (2R)-N-[(1S,2R,3E,7E,9E)-1-[(beta-D-Glucopyranosyloxy)methyl]-2-hydroxy-8-methyl-3,7,9-heptadecatrien-1-yl]-2-hydroxydocosanamide
- (2R)-2-Hydroxy-N-[(2S,3R,4E,8E,10E)-3-hydroxy-9-methyl-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadeca-4,8,10-trien-2-yl]docosanamide
-
- Inchi: 1S/C47H87NO9/c1-4-6-8-10-12-13-14-15-16-17-18-19-20-21-22-24-26-30-35-41(51)46(55)48-39(37-56-47-45(54)44(53)43(52)42(36-49)57-47)40(50)34-31-27-29-33-38(3)32-28-25-23-11-9-7-5-2/h28,31-34,39-45,47,49-54H,4-27,29-30,35-37H2,1-3H3,(H,48,55)/b32-28+,34-31+,38-33+/t39-,40+,41+,42+,43+,44-,45+,47+/m0/s1
- InChI Key: ADGAACRDRIHEAW-VEJQDDPASA-N
- SMILES: O1[C@H]([C@@H]([C@H]([C@@H]([C@H]1CO)O)O)O)OC[C@@H]([C@@H](/C=C/CC/C=C(\C)/C=C/CCCCCCC)O)NC([C@@H](CCCCCCCCCCCCCCCCCCCC)O)=O
Computed Properties
- Exact Mass: 809.63808335g/mol
- Monoisotopic Mass: 809.63808335g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 7
- Hydrogen Bond Acceptor Count: 9
- Heavy Atom Count: 57
- Rotatable Bond Count: 37
- Complexity: 1040
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 8
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 3
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 169
- XLogP3: 13
(2R)-2-Hydroxy-N-[(2S,3R,4E,8E,10E)-3-hydroxy-9-methyl-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadeca-4,8,10-trien-2-yl]docosanamide Related Literature
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Benjamin Gabriel Poulson,Kacper Szczepski,Joanna Izabela Lachowicz,Lukasz Jaremko,Abdul-Hamid Emwas,Mariusz Jaremko RSC Adv., 2020,10, 215-227
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Patricia A. A. M. Vaz,Jo?o Rocha,Artur M. S. Silva New J. Chem., 2016,40, 8198-8201
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M. T. Colomer,S. Díaz-Moreno,A. Tamayo,A. L. Ortiz J. Mater. Chem. C, 2018,6, 12643-12651
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
152247-25-1 ((2R)-2-Hydroxy-N-[(2S,3R,4E,8E,10E)-3-hydroxy-9-methyl-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadeca-4,8,10-trien-2-yl]docosanamide) Related Products
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