Cas no 212268-55-8 (2,4,7-Triamino-5-hydroxyoctanedioic acid; (2R*,4S*,5S*,7R*)-form, N2-β-D-Glucopyranosyl)
212268-55-8 structure
Product Name:2,4,7-Triamino-5-hydroxyoctanedioic acid; (2R*,4S*,5S*,7R*)-form, N2-β-D-Glucopyranosyl
CAS No:212268-55-8
MF:C14H27N3O10
MW:397.378284692764
CID:6737477
Update Time:2024-03-03
2,4,7-Triamino-5-hydroxyoctanedioic acid; (2R*,4S*,5S*,7R*)-form, N2-β-D-Glucopyranosyl Chemical and Physical Properties
Names and Identifiers
-
- Ascaulitoxin
- (-)-Ascaulitoxin
- 2,4,7-Triamino-5-hydroxyoctanedioic acid; (2R*,4S*,5S*,7R*)-form, N2-β-D-Glucopyranosyl
-
- Inchi： 1S/C14H27N3O10/c15-4(7(19)2-5(16)13(23)24)1-6(14(25)26)17-12-11(22)10(21)9(20)8(3-18)27-12/h4-12,17-22H,1-3,15-16H2,(H,23,24)(H,25,26)
- InChI Key： RETMXMAOYGZCRA-UHFFFAOYSA-N
- SMILES： NC(C(CC(C(=O)O)N)O)CC(C(=O)O)NC1C(O)C(O)C(O)C(CO)O1
Computed Properties
- Hydrogen Bond Donor Count: 10
- Hydrogen Bond Acceptor Count: 13
- Heavy Atom Count: 27
- XLogP3: -6.041
2,4,7-Triamino-5-hydroxyoctanedioic acid; (2R*,4S*,5S*,7R*)-form, N2-β-D-Glucopyranosyl Related Literature
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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