Cas no 102492-21-7 (L-Mannopyranose,2-[[[(2-chloroethyl)nitrosoamino]carbonyl]amino]-2-deoxy-)
![L-Mannopyranose,2-[[[(2-chloroethyl)nitrosoamino]carbonyl]amino]-2-deoxy- structure](https://ossimg.kuujia.com/scimg/102500/102492-21-7x500.png)
102492-21-7 structure
Product Name:L-Mannopyranose,2-[[[(2-chloroethyl)nitrosoamino]carbonyl]amino]-2-deoxy-
CAS No:102492-21-7
MF:C9H16ClN3O7
MW:313.692241668701
CID:147341
PubChem ID:24847493
Update Time:2025-04-19
L-Mannopyranose,2-[[[(2-chloroethyl)nitrosoamino]carbonyl]amino]-2-deoxy- Chemical and Physical Properties
Names and Identifiers
-
- L-Mannopyranose,2-[[[(2-chloroethyl)nitrosoamino]carbonyl]amino]-2-deoxy-
- 1-(2-chloroethyl)-1-nitroso-3-[(3S,4S,5R,6S)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]urea
- 2-({[(2-Chloroethyl)(nitroso)amino](hydroxy)methylidene}amino)-2-deoxyhexopyranose
- DTXSID10907617
- CHEMBL3228480
- 102492-21-7
- 1-(2-Chloroethyl)-3-(2-deoxy-L-mannopyranos-2-yl)-1-nitrosourea
- Urea, 1-(2-chloroethyl)-3-(2-deoxy-L-mannopyranos-2-yl)-1-nitroso-
-
- Inchi： 1S/C9H16ClN3O7/c10-1-2-13(12-19)9(18)11-5-7(16)6(15)4(3-14)20-8(5)17/h4-8,14-17H,1-3H2,(H,11,18)/t4-,5-,6-,7-,8?/m0/s1
- InChI Key： MYBLAOJMRYYKMS-CGRSDTJUSA-N
- SMILES： ClCCN(C(N[C@@H]1C(O)O[C@@H](CO)[C@@H]([C@H]1O)O)=O)N=O
Computed Properties
- Exact Mass: 313.06778
- Monoisotopic Mass: 313.0676776g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 5
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 20
- Rotatable Bond Count: 4
- Complexity: 348
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 4
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -0.7
- Topological Polar Surface Area: 152?2
Experimental Properties
- PSA: 151.92
- LogP: -1.89100
L-Mannopyranose,2-[[[(2-chloroethyl)nitrosoamino]carbonyl]amino]-2-deoxy- Related Literature
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Suji Lee,Min Su Han Chem. Commun., 2021,57, 9450-9453
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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3. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
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Christian K. Rank,Alexander W. Jones,Tatjana Wall,Patrick Di Martino-Fumo,Sarah Schr?ck,Markus Gerhards,Frederic W. Patureau Chem. Commun., 2019,55, 13749-13752
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