Chem
J-GLOBAL ID：200907060323954090
Nikkaji number：J2.661.737E
(1S,2S)-2-Amino-1-[3,4,5-tris(dodecyloxy)phenyl]-1-propanol
(αS)-α-[(S)-1-アミノエチル]-3,4,5-トリス(ドデシルオキシ)ベンゼンメタノール
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Molecular formula： C45H85NO4
Molecular formula furigana： C45-H85-N-O4
Molecular weight： 704.178
InChI：
InChI=1S/C45H85NO4/c1-5-8-11-14-17-20-23-26-29-32-35-48-42-38-41(44(47)40(4)46)39-43(49-36-33-30-27-24-21-18-15-12-9-6-2)45(42)50-37-34-31-28-25-22-19-16-13-10-7-3/h38-40,44,47H,5-37,46H2,1-4H3/t40-,44+/m0/s1
InChI key：
LKYUUVHTNUSTSU-UTXDEELTSA-N
SMILES：
CCCCCCCCCCCCOc1cc(cc(OCCCCCCCCCCCC)c1OCCCCCCCCCCCC)[C@H](O)[C@H](C)N
Systematic name (5)：
- (αS)-α-[(S)-1-アミノエチル]-3,4,5-トリス(ドデシルオキシ)ベンゼンメタノール
- (1S,2S)-1-[3,4,5-トリス(ドデシルオキシ)フェニル]-2-アミノプロパン-1-オール
- (1S,2S)-2-アミノ-1-[3,4,5-トリス(ドデシルオキシ)フェニル]-1-プロパノール
- (1S,2S)-2-アミノ-1-[3,4,5-トリス(ドデシルオキシ)フェニル]プロパン-1-オール
- (1S,2S)-2-amino-1-[3,4,5-tris(dodecyloxy)phenyl]propan-1-ol
- (αS)-α-[(S)-1-Aminoethyl]-3,4,5-tris(dodecyloxy)benzenemethanol
- (1S,2S)-1-[3,4,5-Tris(dodecyloxy)phenyl]-2-aminopropane-1-ol
- (1S,2S)-2-Amino-1-[3,4,5-tris(dodecyloxy)phenyl]-1-propanol
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