Cas no 132073-72-4 (Tetrazomine)
Tetrazomine structure
Product Name:Tetrazomine
CAS No:132073-72-4
MF:C24H34N4O5
MW:458.550566196442
CID:222963
PubChem ID:188405
Update Time:2024-02-29
Tetrazomine Chemical and Physical Properties
Names and Identifiers
-
- 2-Piperidinecarboxamide,3-hydroxy-N-[(2aR,3S,5R,6R,6aS,11bR)-2a,3,4,5,6,6a,7,11b-octahydro-5-(hydroxymethyl)-11-methoxy-12-methyl-3,6-imino-1H-2-oxa-11c-azanaphth[1,2,3-cd]azulen-10-yl]-,(2S,3R)-
- tetrazomine
- (3R)-3-hydroxy-N-[(2aR,3R,5R,6S,6aS,11bR)-5-(hydroxymethyl)-11-methoxy-12-methyl-2a,3,4,5,6,6a,7,11b-octahydro-1H-3,6-epimino-2-oxa-11c-azanaphtho[1,2,3-cd]azulen-10-yl]piperidine-2-carboxamide
- 2-Piperidinecarboxamide, 3-hydroxy-N-(2a,3,4,5,6,6a,7,11b-octahydro-5-(hydroxymethyl)-11-methoxy-12-methyl-3,6-imino-1H-2-oxa-11c-azanaphth(1,2,3-cd)azulen-10-yl)-
- 3-Hydroxy-N-[[2a,3,4,5,6,6a,7,11b-octahydro-5-(hydroxymethyl)-11-methoxy-12-methyl-3,6-epimino-1H-2-oxa-11c-aza-11cH-naphth[1,2,3-cd]azulen]-10-yl]piperidine-2-carboxamide
- 132073-72-4
- 3-Hydroxy-N-[5-(hydroxymethyl)-11-methoxy-12-methyl-2a,3,4,5,6,6a,7,11b-octahydro-1H-3,6-epimino-2-oxa-11c-azanaphtho[1,2,3-cd]azulen-10-yl]piperidine-2-carboximidic acid
- DTXSID60927522
- (3R)-3-hydroxy-N-[(1S,2S,3R,5R,6R,9R)-3-(hydroxymethyl)-11-methoxy-18-methyl-7-oxa-17,18-diazapentacyclo[7.7.1.12,5.06,17.010,15]octadeca-10(15),11,13-trien-12-yl]piperidine-2-carboxamide
- Antibiotic Y 09194L-B
- Tetrazomine
-
- Inchi： 1S/C24H34N4O5/c1-27-16-9-13(10-29)21(27)15-8-12-5-6-14(26-23(31)20-18(30)4-3-7-25-20)22(32-2)19(12)17-11-33-24(16)28(15)17/h5-6,13,15-18,20-21,24-25,29-30H,3-4,7-11H2,1-2H3,(H,26,31)/t13-,15-,16+,17-,18+,20?,21-,24+/m0/s1
- InChI Key： WXZSUBHBYQYTNM-WMDJANBXSA-N
- SMILES： O1C[C@H]2C3C(=C(C=CC=3C[C@H]3[C@@H]4[C@H](CO)C[C@H]([C@@H]1N32)N4C)NC(C1[C@@H](CCCN1)O)=O)OC
Computed Properties
- Exact Mass: 458.253
- Monoisotopic Mass: 458.253
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 33
- Rotatable Bond Count: 4
- Complexity: 756
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 7
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 107
- XLogP3: 0.5
Experimental Properties
- Density: 1.41
- Boiling Point: 664.9°C at 760 mmHg
- Flash Point: 355.9°C
- Refractive Index: 1.67
Tetrazomine Related Literature
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
-
Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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