Cas no 73600-89-2 (3-amino-5,9,12,13,14-pentahydroxy-8,10-dioxa-2,4-diazatetracyclo[7.3.1.1~7,11~.0~1,6~]tetradec-3-ene-14-carbaldehyde (non-preferred name))
![3-amino-5,9,12,13,14-pentahydroxy-8,10-dioxa-2,4-diazatetracyclo[7.3.1.1~7,11~.0~1,6~]tetradec-3-ene-14-carbaldehyde (non-preferred name) structure](https://ossimg.kuujia.com/scimg/74000/73600-89-2x500.png)
73600-89-2 structure
Product Name:3-amino-5,9,12,13,14-pentahydroxy-8,10-dioxa-2,4-diazatetracyclo[7.3.1.1~7,11~.0~1,6~]tetradec-3-ene-14-carbaldehyde (non-preferred name)
CAS No:73600-89-2
MF:C11H15N3O8
MW:317.252103090286
CID:1765699
Update Time:2024-03-01
3-amino-5,9,12,13,14-pentahydroxy-8,10-dioxa-2,4-diazatetracyclo[7.3.1.1~7,11~.0~1,6~]tetradec-3-ene-14-carbaldehyde (non-preferred name) Chemical and Physical Properties
Names and Identifiers
-
- 3-amino-5,9,12,13,14-pentahydroxy-8,10-dioxa-2,4-diazatetracyclo[7.3.1.1~7,11~.0~1,6~]tetradec-3-ene-14-carbaldehyde (non-preferred name)
- Tetrodotoxin, 11-deoxy-11-oxo- (9CI)
-
- Inchi： 1S/C11H15N3O8/c12-8-13-6(17)2-4-9(19,1-15)5-3(16)10(2,14-8)7(18)11(20,21-4)22-5/h1-7,16-20H,(H3,12,13,14)
- InChI Key： AWPSOPFZRFNJNJ-UHFFFAOYSA-N
- SMILES： OC1C2C3(C(O)C4(OC2C(C(O4)C3O)(C=O)O)O)NC(=N)N1
Computed Properties
- Exact Mass: 317.086
- Monoisotopic Mass: 317.086
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 7
- Hydrogen Bond Acceptor Count: 9
- Heavy Atom Count: 22
- Rotatable Bond Count: 1
- Complexity: 588
- 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
Experimental Properties
- Density: 2.76
- Boiling Point: 767.6°C at 760 mmHg
- Flash Point: 418°C
- Refractive Index: 2.087
3-amino-5,9,12,13,14-pentahydroxy-8,10-dioxa-2,4-diazatetracyclo[7.3.1.1~7,11~.0~1,6~]tetradec-3-ene-14-carbaldehyde (non-preferred name) Related Literature
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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