Cas no 86826-01-9 (3,4,5-Trihydroxy-2-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyhexanal)
86826-01-9 structure
Product Name:3,4,5-Trihydroxy-2-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyhexanal
CAS No:86826-01-9
MF:C12H22O9
MW:310.297685146332
CID:991974
PubChem ID:335928
Update Time:2025-04-20
3,4,5-Trihydroxy-2-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyhexanal Chemical and Physical Properties
Names and Identifiers
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- 3,4,5-trihydroxy-2-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyhexanal
- DTXSID10319615
- NSC-348102
- 86826-01-9
- NSC348102
- PHYLLANTHOSE (DISACCHARIDE FROM PHYLLANTHOSIDE)
- 3,4,5-Trihydroxy-2-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyhexanal
-
- Inchi： 1S/C12H22O9/c1-4(14)7(15)9(17)6(3-13)21-12-11(19)10(18)8(16)5(2)20-12/h3-12,14-19H,1-2H3
- InChI Key： QECIMGTVYLWJFS-UHFFFAOYSA-N
- SMILES： O1C(C)C(C(C(C1OC(C=O)C(C(C(C)O)O)O)O)O)O
Computed Properties
- Exact Mass: 310.12638228g/mol
- Monoisotopic Mass: 310.12638228g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 6
- Hydrogen Bond Acceptor Count: 9
- Heavy Atom Count: 21
- Rotatable Bond Count: 6
- Complexity: 339
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 9
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -3.5
- Topological Polar Surface Area: 157?2
3,4,5-Trihydroxy-2-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyhexanal Related Literature
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Yang Chen,Di Zhou,Zheyi Meng,Jin Zhai Chem. Commun., 2016,52, 10020-10023
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3. An integrated microfluidic 3D tumor system for parallel and high-throughput chemotherapy evaluation?Dan Liu,Rui Hu,Zhongchao Huang,Meilin Sun,Kai Han Analyst, 2020,145, 6447-6455
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Suji Lee,Min Su Han Chem. Commun., 2021,57, 9450-9453
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Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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