Cas no 85412-77-7 (Subhirsine)
Subhirsine structure
Product Name:Subhirsine
CAS No:85412-77-7
MF:C33H40N2O9
MW:608.678709983826
CID:2017452
PubChem ID:15385407
Update Time:2025-04-21
Subhirsine Chemical and Physical Properties
Names and Identifiers
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- Subhirsine
- 85412-77-7
- AKOS037623527
- AKOS030502228
- DTXSID401345762
- STL565423
- carbonylbis[(1R,5S)-8-azabicyclo[3.2.1]octane-8,3-diyl] bis(3,4-dimethoxybenzoate)
-
- Inchi： 1S/C33H40N2O9/c1-39-27-11-5-19(13-29(27)41-3)31(36)43-25-15-21-7-8-22(16-25)34(21)33(38)35-23-9-10-24(35)18-26(17-23)44-32(37)20-6-12-28(40-2)30(14-20)42-4/h5-6,11-14,21-26H,7-10,15-18H2,1-4H3/t21-,22+,23-,24+,25?,26?
- InChI Key： JAXWQXGHHUWAKY-ICFBRBJFSA-N
- SMILES： O(C(C1C=CC(=C(C=1)OC)OC)=O)C1C[C@H]2CC[C@@H](C1)N2C(N1[C@@H]2CC(C[C@H]1CC2)OC(C1C=CC(=C(C=1)OC)OC)=O)=O
Computed Properties
- Exact Mass: 608.27338086g/mol
- Monoisotopic Mass: 608.27338086g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 9
- Heavy Atom Count: 44
- Rotatable Bond Count: 10
- Complexity: 937
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 4
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 5.1
- Topological Polar Surface Area: 113?2
Subhirsine Related Literature
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Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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3. An integrated chip for immunofluorescence and its application to analyze lysosomal storage disordersJie Shen,Ying Zhou,Tu Lu,Junya Peng,Zhixiang Lin,Yuhong Pang,Li Yu Lab Chip, 2012,12, 317-324
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
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