Cas no 275355-87-8 (Promucosine)
Promucosine structure
Product Name:Promucosine
CAS No:275355-87-8
MF:C20H21NO5
MW:355.384445905685
CID:6643964
PubChem ID:23244604
Update Time:2024-03-02
Promucosine Chemical and Physical Properties
Names and Identifiers
-
- Methyl (8'aR)-2',3',8',8'a-tetrahydro-5',6'-dimethoxy-4-oxospiro[2,5-cyclohexadiene-1,7'(1'H)-cyclopent[ij]isoquinoline]-1'-carboxylate
- DTXSID301101858
- 275355-87-8
- Promucosine
- CHEBI:174769
- methyl 10',11'-dimethoxy-4-oxo-5'-azaspiro[cyclohexane-1,2'-tricyclo[6.3.1.0^{4,12}]dodecane]-1'(12'),2,5,8',10'-pentaene-5'-carboxylate
- methyl 10,11-dimethoxy-6'-oxospiro[5-azatricyclo[6.3.1.04,12]dodeca-1(12),8,10-triene-2,3'-cyclohexa-1,4-diene]-5-carboxylate
-
- Inchi： 1S/C20H21NO5/c1-24-15-10-12-6-9-21(19(23)26-3)14-11-20(7-4-13(22)5-8-20)17(16(12)14)18(15)25-2/h4-5,7-8,10,14H,6,9,11H2,1-3H3/t14-/m1/s1
- InChI Key： RRWYPLCSLKEVAO-CQSZACIVSA-N
- SMILES： O(C)C1C(=CC2CCN(C(=O)OC)[C@H]3C=2C=1C1(C=CC(C=C1)=O)C3)OC
Computed Properties
- Exact Mass: 355.14197277g/mol
- Monoisotopic Mass: 355.14197277g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 26
- Rotatable Bond Count: 3
- Complexity: 641
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.4
- Topological Polar Surface Area: 65.1?2
Promucosine Related Literature
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
-
Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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