Cas no 72362-17-5 (Pukeleimid B)
Pukeleimid B structure
Product Name:Pukeleimid B
CAS No:72362-17-5
MF:C13H14N2O5
MW:278.260663509369
CID:2023629
PubChem ID:6506028
Update Time:2025-04-21
Pukeleimid B Chemical and Physical Properties
Names and Identifiers
-
- Pukeleimid B
- Pukeleimide B
- 1-[[(2Z)-1,5-Dihydro-4-hydroxymethyl-1-methyl-5-oxo-2H-pyrrol-2-ylidene]acetyl]-1,5-dihydro-4-methoxy-2H-pyrrol-2-one
- CHEBI:198950
- 72362-17-5
- Pukeleimide A
- (5E)-3-(hydroxymethyl)-5-[2-(3-methoxy-5-oxo-2H-pyrrol-1-yl)-2-oxoethylidene]-1-methylpyrrol-2-one
- DTXSID001046180
- (5E)-3-(hydroxymethyl)-5-(2-(3-methoxy-5-oxo-2H-pyrrol-1-yl)-2-oxoethylidene)-1-methylpyrrol-2-one
-
- Inchi： 1S/C13H14N2O5/c1-14-9(3-8(7-16)13(14)19)4-11(17)15-6-10(20-2)5-12(15)18/h3-5,16H,6-7H2,1-2H3/b9-4+
- InChI Key： ZNJVDXPVBMPLNR-RUDMXATFSA-N
- SMILES： O(C)C1=CC(N(C(/C=C2\C=C(CO)C(N\2C)=O)=O)C1)=O
Computed Properties
- Exact Mass: 278.09
- Monoisotopic Mass: 278.09
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 20
- Rotatable Bond Count: 3
- Complexity: 573
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 87.2A^2
- XLogP3: -1.2
Pukeleimid B Related Literature
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Jason Wan Lab Chip, 2020,20, 4528-4538
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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