Cas no 52601-74-8 (PENTAAZA-15-CROWN-5, N,N,N ,N ,N -PENTATOSYLAMIDE)
52601-74-8 structure
Product Name:PENTAAZA-15-CROWN-5, N,N,N ,N ,N -PENTATOSYLAMIDE
CAS No:52601-74-8
MF:C45H55N5O10S5
MW:986.270705461502
CID:937161
Update Time:2023-03-27
PENTAAZA-15-CROWN-5, N,N,N ,N ,N -PENTATOSYLAMIDE Chemical and Physical Properties
Names and Identifiers
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- PENTAAZA-15-CROWN-5, N,N,N ,N ,N -PENTATOSYLAMIDE
- 1,4,7,10,13-Pentaazacyclopentadecane, 1,4,7,10,13-pentakis[(4-methylphenyl)sulfonyl]-
-
- Inchi： 1S/C45H55N5O10S5/c1-36-6-16-41(17-7-36)61(51,52)46-26-28-47(62(53,54)42-18-8-37(2)9-19-42)30-32-49(64(57,58)44-22-12-39(4)13-23-44)34-35-50(65(59,60)45-24-14-40(5)15-25-45)33-31-48(29-27-46)63(55,56)43-20-10-38(3)11-21-43/h6-25H,26-35H2,1-5H3
- InChI Key： PEEVYAVAFWYTMQ-UHFFFAOYSA-N
- SMILES： N1(S(C2=CC=C(C)C=C2)(=O)=O)CCN(S(C2=CC=C(C)C=C2)(=O)=O)CCN(S(C2=CC=C(C)C=C2)(=O)=O)CCN(S(C2=CC=C(C)C=C2)(=O)=O)CCN(S(C2=CC=C(C)C=C2)(=O)=O)CC1
Computed Properties
- Exact Mass: 985.255
- Monoisotopic Mass: 985.255
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 15
- Heavy Atom Count: 65
- Rotatable Bond Count: 10
- Complexity: 1690
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
PENTAAZA-15-CROWN-5, N,N,N ,N ,N -PENTATOSYLAMIDE Related Literature
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Chengbin Yang,Hing Lun Tsang,Pui Man Lau,Ken-Tye Yong,Ho Pui Ho,Siu Kai Kong Analyst, 2017,142, 3579-3587
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Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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Christian K. Rank,Alexander W. Jones,Tatjana Wall,Patrick Di Martino-Fumo,Sarah Schr?ck,Markus Gerhards,Frederic W. Patureau Chem. Commun., 2019,55, 13749-13752
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Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
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