Cas no 128488-79-9 (DEOXYSPERGUALIN (Hydrochloride))
128488-79-9 structure
Product Name:DEOXYSPERGUALIN (Hydrochloride)
CAS No:128488-79-9
MF:C5H11NO2S
MW:149.21134018898
CID:3034226
PubChem ID:6992087
Update Time:2024-02-29
DEOXYSPERGUALIN (Hydrochloride) Chemical and Physical Properties
Names and Identifiers
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- DEOXYSPERGUALIN (Hydrochloride)
- FODMSVBVCPOQRL-NTISSMGPSA-N
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- Inchi： 1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1
- InChI Key： FFEARJCKVFRZRR-BYPYZUCNSA-N
- SMILES： C(O)(=O)[C@@H](N)CCSC
Computed Properties
- Exact Mass: 149.05104977g/mol
- Monoisotopic Mass: 149.05104977g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 8
- Hydrogen Bond Acceptor Count: 10
- Heavy Atom Count: 28
- Rotatable Bond Count: 20
- Complexity: 91.4
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -1.2
- Topological Polar Surface Area: 93.1?2
DEOXYSPERGUALIN (Hydrochloride) Related Literature
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Xin Li,Liangliang Zhu,Sai Duan,Yanli Zhao,Hans ?gren Phys. Chem. Chem. Phys., 2014,16, 23854-23860
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Kui Wu,Zhihua Yang,Shilie Pan Dalton Trans., 2015,44, 19856-19864
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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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Felix Witte,Philipp Rietsch,Nithiya Nirmalananthan-Budau,Florian Weigert,Jan P. G?tze,Ute Resch-Genger,Siegfried Eigler,Beate Paulus Phys. Chem. Chem. Phys., 2021,23, 17521-17529
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Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
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