Cas no 50655-21-5 ((1S,5S)-5-hydroxy-5-(hydroxymethyl)-4-oxocyclopent-2-en-1-yl acetate)
50655-21-5 structure
Product Name:(1S,5S)-5-hydroxy-5-(hydroxymethyl)-4-oxocyclopent-2-en-1-yl acetate
CAS No:50655-21-5
MF:C8H10O5
MW:186.162003040314
CID:1572613
PubChem ID:198259
Update Time:2025-04-21
(1S,5S)-5-hydroxy-5-(hydroxymethyl)-4-oxocyclopent-2-en-1-yl acetate Chemical and Physical Properties
Names and Identifiers
-
- (1S,5S)-5-hydroxy-5-(hydroxymethyl)-4-oxocyclopent-2-en-1-yl acetate
- (4S,5S)-4-Acetoxy-5-hydroxy-5-hydroxymethyl-2-cyclopenten-1-one
- Pentenomycin II
- Antibiotic C 2554A-II
- Antibiotic XB 94F2
- XB-94-F(sub 2)
- 50655-21-5
- CHEBI:225226
- Antibiotic XB 94F(sub 2)
- DTXSID20198695
- 4-acetoxy-5-hydroxy-5-hydroxymethyl-(4:S,5:S)cyclopent-2-en-1-one
- 2-Cyclopenten-1-one, 4-(acetyloxy)-5-hydroxy-5-(hydroxymethyl)-, (4S-cis)-
- [(1S,5S)-5-hydroxy-5-(hydroxymethyl)-4-oxocyclopent-2-en-1-yl] acetate
- DB-257793
-
- Inchi： 1S/C8H10O5/c1-5(10)13-7-3-2-6(11)8(7,12)4-9/h2-3,7,9,12H,4H2,1H3/t7-,8+/m0/s1
- InChI Key： AGNRGFRAFJOXHH-JGVFFNPUSA-N
- SMILES： O(C(C)=O)[C@H]1C=CC([C@@]1(CO)O)=O
Computed Properties
- Exact Mass: 186.0528
- Monoisotopic Mass: 186.05282342g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 270
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 2
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -0.9
- Topological Polar Surface Area: 83.8?2
Experimental Properties
- PSA: 83.83
(1S,5S)-5-hydroxy-5-(hydroxymethyl)-4-oxocyclopent-2-en-1-yl acetate Related Literature
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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Vitaly Gurylev,Chung-Yi Su,Tsong-Pyng Perng Phys. Chem. Chem. Phys., 2016,18, 16033-16038
-
5. Estimating and correcting interference fringes in infrared spectra in infrared hyperspectral imagingGhazal Azarfar,Ebrahim Aboualizadeh,Nicholas M. Walter,Simona Ratti,Camilla Olivieri,Alessandra Norici,Michael Nasse,Achim Kohler,Mario Giordano Analyst, 2018,143, 4674-4683
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