Cas no 86992-65-6 ([(3S,4R,5S)-3,4,5-trihydroxy-2-keto-hexyl] dihydrogen phosphate)
![[(3S,4R,5S)-3,4,5-trihydroxy-2-keto-hexyl] dihydrogen phosphate structure](https://ossimg.kuujia.com/scimg/87000/86992-65-6x500.png)
86992-65-6 structure
Product Name:[(3S,4R,5S)-3,4,5-trihydroxy-2-keto-hexyl] dihydrogen phosphate
CAS No:86992-65-6
MF:C6H13O8P
MW:244.136383771896
CID:6773040
PubChem ID:439413
Update Time:2024-03-04
[(3S,4R,5S)-3,4,5-trihydroxy-2-keto-hexyl] dihydrogen phosphate Chemical and Physical Properties
Names and Identifiers
-
- MFCD31720630
- 86992-65-6
- [(3S,4R,5S)-3,4,5-trihydroxy-2-oxo-hexyl] dihydrogen phosphate
- L-rhamnulose-1-phosphate
- [(3S,4R,5S)-3,4,5-trihydroxy-2-keto-hexyl] dihydrogen phosphate
- SCHEMBL10783457
-
- Inchi： 1S/C6H13O8P/c1-3(7)5(9)6(10)4(8)2-14-15(11,12)13/h3,5-7,9-10H,2H2,1H3,(H2,11,12,13)/t3-,5+,6+/m0/s1
- InChI Key： KNYGWWDTPGSEPD-OTWZMJIISA-N
- SMILES： P(=O)(O)(O)OCC([C@H]([C@@H]([C@H](C)O)O)O)=O
Computed Properties
- Exact Mass: 244.03480437g/mol
- Monoisotopic Mass: 244.03480437g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 5
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 15
- Rotatable Bond Count: 6
- Complexity: 260
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 3
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -3.3
- Topological Polar Surface Area: 145?2
[(3S,4R,5S)-3,4,5-trihydroxy-2-keto-hexyl] dihydrogen phosphate 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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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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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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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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