Cas no 123665-88-3 (5,9:7,10a-Dimethano-10aH-[1,3]dioxocino[6,5-d]pyrimidine-4,7,10,11,12-pentol,2-amino-12-(dihydroxymethyl)-3,4,4a,5,9,10-hexahydro-,(4R,4aR,5R,7S,9S,10S,10aR,11S,12S)-)
![5,9:7,10a-Dimethano-10aH-[1,3]dioxocino[6,5-d]pyrimidine-4,7,10,11,12-pentol,2-amino-12-(dihydroxymethyl)-3,4,4a,5,9,10-hexahydro-,(4R,4aR,5R,7S,9S,10S,10aR,11S,12S)- structure](https://ossimg.kuujia.com/scimg/124000/123665-88-3x500.png)
123665-88-3 structure
Product Name:5,9:7,10a-Dimethano-10aH-[1,3]dioxocino[6,5-d]pyrimidine-4,7,10,11,12-pentol,2-amino-12-(dihydroxymethyl)-3,4,4a,5,9,10-hexahydro-,(4R,4aR,5R,7S,9S,10S,10aR,11S,12S)-
CAS No:123665-88-3
MF:C11H17N3O9
MW:335.267383337021
CID:141403
PubChem ID:3081712
Update Time:2025-04-19
5,9:7,10a-Dimethano-10aH-[1,3]dioxocino[6,5-d]pyrimidine-4,7,10,11,12-pentol,2-amino-12-(dihydroxymethyl)-3,4,4a,5,9,10-hexahydro-,(4R,4aR,5R,7S,9S,10S,10aR,11S,12S)- 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,2-amino-12-(dihydroxymethyl)-3,4,4a,5,9,10-hexahydro-,(4R,4aR,5R,7S,9S,10S,10aR,11S,12S)-
- 11-Oxotetrodotoxin
- 5,9:7,10a-Dimethano-10aH-[1,3]dioxocino[6,5-d]pyrimidine-4,7,10,11,12-pentol,2-amino-12-(dihydroxymethyl)-3,4,4a,5,9,10-hexah
- 11-Hydroxytetradotoxin
- 11-Oxo-tetrodotoxin
- 11-Oxo-ttx
- 3-amino-14-(dihydroxymethyl)-8,10-dioxa-2,4-diazatetracyclo[7.3.1.1~7,11~.0~1,6~]tetradec-3-ene-5,9,12,13,14-pentol (non-preferred name)
- Tetrodotoxin, 11-hydroxy-
- 11-Hydroxytetrodotoxin
- 3-amino-14-(dihydroxymethyl)-8,10-dioxa-2,4-diazatetracyclo[7.3.1.17,11.01,6]tetradec-3-ene-5,9,12,13,14-pentol
- DTXSID10924566
- 123665-88-3
-
- Inchi： 1S/C11H17N3O9/c12-8-13-5(16)1-3-10(20,7(18)19)4-2(15)9(1,14-8)6(17)11(21,22-3)23-4/h1-7,15-21H,(H3,12,13,14)
- InChI Key： FPIMGHUQQSRSTB-UHFFFAOYSA-N
- SMILES： O1C2(C(C34C(C(C(C(O)O)(C1C3C(N=C(N)N4)O)O)O2)O)O)O
Computed Properties
- Exact Mass: 335.09651
- Monoisotopic Mass: 335.096
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 9
- Hydrogen Bond Acceptor Count: 10
- Heavy Atom Count: 23
- Rotatable Bond Count: 1
- Complexity: 589
- 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: -6.4
- Topological Polar Surface Area: 211?2
Experimental Properties
- Density: 2.99
- Boiling Point: 798.5°Cat760mmHg
- Flash Point: 436.7°C
- Refractive Index: 2.155
- PSA: 210.48
5,9:7,10a-Dimethano-10aH-[1,3]dioxocino[6,5-d]pyrimidine-4,7,10,11,12-pentol,2-amino-12-(dihydroxymethyl)-3,4,4a,5,9,10-hexahydro-,(4R,4aR,5R,7S,9S,10S,10aR,11S,12S)- Related Literature
-
Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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2. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
-
Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
-
Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
123665-88-3 (5,9:7,10a-Dimethano-10aH-[1,3]dioxocino[6,5-d]pyrimidine-4,7,10,11,12-pentol,2-amino-12-(dihydroxymethyl)-3,4,4a,5,9,10-hexahydro-,(4R,4aR,5R,7S,9S,10S,10aR,11S,12S)-) Related Products
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