Cas no 81520-41-4 (5,9:7,10a-Dimethano-10aH-[1,3]dioxocino[6,5-d]pyrimidine-4,7,10,11,12-pentol,octahydro-2-imino-, (4R,4aR,5R,7S,9S,10S,10aR,11S,12R)-)
![5,9:7,10a-Dimethano-10aH-[1,3]dioxocino[6,5-d]pyrimidine-4,7,10,11,12-pentol,octahydro-2-imino-, (4R,4aR,5R,7S,9S,10S,10aR,11S,12R)- structure](https://ossimg.kuujia.com/scimg/82000/81520-41-4x500.png)
81520-41-4 structure
Product Name:5,9:7,10a-Dimethano-10aH-[1,3]dioxocino[6,5-d]pyrimidine-4,7,10,11,12-pentol,octahydro-2-imino-, (4R,4aR,5R,7S,9S,10S,10aR,11S,12R)-
CAS No:81520-41-4
MF:C10H15N3O7
MW:289.242002725601
CID:731851
PubChem ID:157973
Update Time:2025-04-19
5,9:7,10a-Dimethano-10aH-[1,3]dioxocino[6,5-d]pyrimidine-4,7,10,11,12-pentol,octahydro-2-imino-, (4R,4aR,5R,7S,9S,10S,10aR,11S,12R)- Chemical and Physical Properties
Names and Identifiers
-
- 5,9:7,10a-Dimethano-10aH-[1,3]dioxocino[6,5-d]pyrimidine-4,7,10,11,12-pentol,octahydro-2-imino-, (4R,4aR,5R,7S,9S,10S,10aR,11S,12R)-
- Tetrodotoxin, 6-de(hydroxymethyl)-, (6beta)-
- 11-Nortetrodotoxin-6(R)-ol
- 5,9:7,10a-Dimethano-10aH-(1,3)dioxocino(6,5-d)pyrimidine-4,7,10,11,12-pentol, octahydro-2-imino-, (4R,4aR,5R,7S,9S,10S,10aR,11S,12R)-
- 81520-41-4
- C11-Nortetrodotoxin
-
- Inchi： 1S/C10H15N3O7/c11-8-12-6(16)1-3-2(14)4-5(15)9(1,13-8)7(17)10(18,19-3)20-4/h1-7,14-18H,(H3,11,12,13)/t1-,2+,3-,4-,5-,6-,7-,9-,10+/m1/s1
- InChI Key： LSXWHXRWALCZSK-PRYRJKRZSA-N
- SMILES： O1[C@]2([C@@H]([C@]34[C@@H]([C@@H]([C@H]([C@H]1[C@@H]3[C@H](N=C(N)N4)O)O)O2)O)O)O
Computed Properties
- Exact Mass: 289.09099983g/mol
- Monoisotopic Mass: 289.09099983g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 7
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 20
- Rotatable Bond Count: 0
- Complexity: 503
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 9
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -5.1
- Topological Polar Surface Area: 170?2
5,9:7,10a-Dimethano-10aH-[1,3]dioxocino[6,5-d]pyrimidine-4,7,10,11,12-pentol,octahydro-2-imino-, (4R,4aR,5R,7S,9S,10S,10aR,11S,12R)- Related Literature
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Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
-
Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
-
Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
-
David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
-
Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
81520-41-4 (5,9:7,10a-Dimethano-10aH-[1,3]dioxocino[6,5-d]pyrimidine-4,7,10,11,12-pentol,octahydro-2-imino-, (4R,4aR,5R,7S,9S,10S,10aR,11S,12R)-) Related Products
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