N-PEG3-N'-(propargyl-PEG4)-Cy5
HIT212668125
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HIT ID: HIT212668125
Cas No: 2107273-06-1
分子式: C42H57ClN2O7
分子量: 737.38
常用名: N-PEG3-N'-(propargyl-PEG4)-Cy5
氢键受体数 (HBA): 8
氢键供体数 (HBD): 1
LogP: 2.8132887
IUPAC: 2-[(1E,3E)-5-[(2E)-3,3-dimethyl-1-(3,6,9,12-tetraoxapentadec-14-yn-1-yl)-2,3-dihydro-1H-indol-2-ylidene]penta-1,3-dien-1-yl]-1-{2-[2-(2-hydroxyethoxy)ethoxy]ethyl}-3,3-dimethyl-3H-indol-1-ium chloride
IUPAC: 2-[(1E,3E)-5-[(2E)-3,3-dimethyl-1-(3,6,9,12-tetraoxapentadec-14-yn-1-yl)-2,3-dihydro-1H-indol-2-ylidene]penta-1,3-dien-1-yl]-1-{2-[2-(2-hydroxyethoxy)ethoxy]ethyl}-3,3-dimethyl-3H-indol-1-ium chloride
SMILES: [Cl-].CC1(C)\C(=C/C=C/C=C/C2=[N+](CCOCCOCCO)c3ccccc3C2(C)C)N(CCOCCOCCOCCOCC#C)c2ccccc12 |c:9|
SMILES: [Cl-].CC1(C)\C(=C/C=C/C=C/C2=[N+](CCOCCOCCO)c3ccccc3C2(C)C)N(CCOCCOCCOCCOCC#C)c2ccccc12 |c:9|
InChI key: MXPPWWDNHJQAKX-UHFFFAOYSA-M
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