Cas no 133005-87-5 (isodomoic acid F)
isodomoic acid F structure
Product Name:isodomoic acid F
CAS No:133005-87-5
MF:C15H21NO6
MW:311.33034491539
CID:2002904
PubChem ID:101790920
Update Time:2025-04-21
isodomoic acid F Chemical and Physical Properties
Names and Identifiers
-
- isodomoic acid F
- E,Z-Isodomoic acid
- (-)-Isodomoic acid F
- IsodomoicacidF
- 133005-87-5
- (2S,3S,4S)-4-((2E,4Z,6R)-6-carboxyhepta-2,4-dien-2-yl)-3-(carboxymethyl)pyrrolidine-2-carboxylic acid
- (2S,3S,4S)-4-[(2E,4Z,6R)-6-carboxyhepta-2,4-dien-2-yl]-3-(carboxymethyl)pyrrolidine-2-carboxylic acid
- (2S,3S,4S)-2-CARBOXY-4-[(1Z,3E,5R)-5-CARBOXY-1-METHYL-1,3-HEXADIENYL]-3-PYRROLIDINEACETIC 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-LNVQSPMDSA-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
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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