Cas no 49644-25-9 (2-Cyclopenten-1-one,4,5-dihydroxy-5-(hydroxymethyl)-, (4S,5S)-)
49644-25-9 structure
Product Name:2-Cyclopenten-1-one,4,5-dihydroxy-5-(hydroxymethyl)-, (4S,5S)-
2-Cyclopenten-1-one,4,5-dihydroxy-5-(hydroxymethyl)-, (4S,5S)- Chemical and Physical Properties
Names and Identifiers
-
- 2-Cyclopenten-1-one,4,5-dihydroxy-5-(hydroxymethyl)-, (4S,5S)-
- pentenomycin I
- (4S-cis)-4,5-Dihydroxy-5-(hydroxymethyl)cyclopenten-1-one
- Antibiotic C 2554B
- Antibiotic XB 94
- (-)-PENTENOMYCIN I
- XB 94
- 49644-25-9
- SCHEMBL13507742
- (4s,5s)-4,5-dihydroxy-5-(hydroxymethyl)cyclopent-2-en-1-one
- Epi pentenomycin I
- DZ2G6KA8RT
- PENTENOMYCIN I, (-)-
- 2-CYCLOPENTEN-1-ONE, 4,5-DIHYDROXY-5-(HYDROXYMETHYL)-, (4S-CIS)-
- DTXSID40197948
- CHEBI:225231
- 2-CYCLOPENTEN-1-ONE, 4,5-DIHYDROXY-5-(HYDROXYMETHYL)-, (4S,5S)-
- (4S,5S)-4,5-DIHYDROXY-5-(HYDROXYMETHYL)-2-CYCLOPENTEN-1-ONE
- Cyclopenten-1-one, 4,5-dihydroxy-5-(hydroxymethyl)-, (4S-cis)-
-
- Inchi： 1S/C6H8O4/c7-3-6(10)4(8)1-2-5(6)9/h1-2,4,7-8,10H,3H2/t4-,6-/m0/s1
- InChI Key： NCKMZWFKQTWDTD-NJGYIYPDSA-N
- SMILES： O[C@]1(CO)C(C=C[C@@H]1O)=O
Computed Properties
- Exact Mass: 144.042259
- Monoisotopic Mass: 144.042259
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 10
- Rotatable Bond Count: 1
- Complexity: 186
- 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
- Topological Polar Surface Area: 77.8
- XLogP3: -1.4
Experimental Properties
- Density: 1.61
- Boiling Point: 349.2°Cat760mmHg
- Flash Point: 179.2°C
- Refractive Index: 1.636
2-Cyclopenten-1-one,4,5-dihydroxy-5-(hydroxymethyl)-, (4S,5S)- Related Literature
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Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
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Sandip Gangadhar Balwe,Yeon Tae Jeong Org. Biomol. Chem., 2018,16, 1287-1296
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Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
-
Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
-
Lei Yang,Yuan Zeng,Haibo Wu,Chunwu Zhou,Lei Tao J. Mater. Chem. B, 2020,8, 1383-1388
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