Cas no 63079-71-0 ((5S)-4-methoxy-5-(1-methylethyl)-1-[(2E,5S)-6,6,6-trichloro-3-methoxy-5-methylhex-2-enoyl]-1,5-dihydro-2H-pyrrol-2-one)
![(5S)-4-methoxy-5-(1-methylethyl)-1-[(2E,5S)-6,6,6-trichloro-3-methoxy-5-methylhex-2-enoyl]-1,5-dihydro-2H-pyrrol-2-one structure](https://ossimg.kuujia.com/scimg/63500/63079-71-0x500.png)
63079-71-0 structure
Product Name:(5S)-4-methoxy-5-(1-methylethyl)-1-[(2E,5S)-6,6,6-trichloro-3-methoxy-5-methylhex-2-enoyl]-1,5-dihydro-2H-pyrrol-2-one
CAS No:63079-71-0
MF:C16H22Cl3NO4
MW:398.709182262421
CID:1647023
PubChem ID:5387252
Update Time:2025-04-21
(5S)-4-methoxy-5-(1-methylethyl)-1-[(2E,5S)-6,6,6-trichloro-3-methoxy-5-methylhex-2-enoyl]-1,5-dihydro-2H-pyrrol-2-one Chemical and Physical Properties
Names and Identifiers
-
- (5S)-4-methoxy-5-(1-methylethyl)-1-[(2E,5S)-6,6,6-trichloro-3-methoxy-5-methylhex-2-enoyl]-1,5-dihydro-2H-pyrrol-2-one
- (2S)-3-methoxy-2-propan-2-yl-1-[(E,5S)-6,6,6-trichloro-3-methoxy-5-methylhex-2-enoyl]-2H-pyrrol-5-one
- dysidine
- 63079-71-0
- NSC622169
- NSC-622169
- Dysidin
-
- Inchi： 1S/C16H22Cl3NO4/c1-9(2)15-12(24-5)8-14(22)20(15)13(21)7-11(23-4)6-10(3)16(17,18)19/h7-10,15H,6H2,1-5H3/b11-7+/t10-,15-/m0/s1
- InChI Key： PXUALOWHEHOKSO-SOXOQJGTSA-N
- SMILES： ClC([C@@H](C)C/C(=C\C(N1C(C=C([C@@H]1C(C)C)OC)=O)=O)/OC)(Cl)Cl
Computed Properties
- Exact Mass: 397.06166
- Monoisotopic Mass: 397.061441g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 24
- Rotatable Bond Count: 6
- Complexity: 552
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 2
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.8
- Topological Polar Surface Area: 55.8?2
Experimental Properties
- PSA: 55.84
(5S)-4-methoxy-5-(1-methylethyl)-1-[(2E,5S)-6,6,6-trichloro-3-methoxy-5-methylhex-2-enoyl]-1,5-dihydro-2H-pyrrol-2-one Related Literature
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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