Cas no 133005-85-3 (isodomoic acid F)
isodomoic acid F structure
Product Name:isodomoic acid F
CAS No:133005-85-3
MF:C15H21NO6
MW:311.33034491539
CID:2002902
PubChem ID:44568340
Update Time:2025-04-21
isodomoic acid F Chemical and Physical Properties
Names and Identifiers
-
- isodomoic acid F
- SCHEMBL13319904
- E,E-Isodomoic acid
- domoric acid
- PD119713
- (2S,3S,4S)-2-CARBOXY-4-[(1Z,3E,5R)-5-CARBOXY-1-METHYL-1,3-HEXADIENYL]-3-PYRROLIDINEACETIC ACID
- 133005-85-3
- (-)-Isodomoic acid E
- CHEMBL482097
- ISODOMOIC ACID E
- BDBM50252103
- (-)-domoic acid
- ISODOMOICACIDE
- (2S,3S,4S)-4-[(2E,4E,6R)-6-carboxyhepta-2,4-dien-2-yl]-3-(carboxymethyl)pyrrolidine-2-carboxylic acid
-
- Inchi： 1S/C15H21NO6/c1-8(4-3-5-9(2)14(19)20)11-7-16-13(15(21)22)10(11)6-12(17)18/h3-5,9-11,13,16H,6-7H2,1-2H3,(H,17,18)(H,19,20)(H,21,22)/b5-3+,8-4+/t9-,10+,11-,13+/m1/s1
- InChI Key： VZFRNCSOCOPNDB-JIUSADRUSA-N
- SMILES： OC([C@@H]1[C@@H](CC(=O)O)[C@@H](/C(=C/C=C/[C@H](C(=O)O)C)/C)CN1)=O
Computed Properties
- Exact Mass: 311.13688739g/mol
- Monoisotopic Mass: 311.13688739g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 22
- Rotatable Bond Count: 7
- Complexity: 510
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 4
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 2
- Undefined Bond Stereocenter Count: 0
- XLogP3: -1.3
- Topological Polar Surface Area: 124?2
isodomoic acid F Related Literature
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
-
Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
-
Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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