Cas no 51846-98-1 (Antibiotic JI 20B)
Antibiotic JI 20B structure
Product Name:Antibiotic JI 20B
CAS No:51846-98-1
MF:C20H41N5O9
MW:495.567645788193
CID:935977
Update Time:2024-02-29
Antibiotic JI 20B Chemical and Physical Properties
Names and Identifiers
-
- antibiotic JI 20B
- 2-[4,6-diamino-3-[3-amino-6-(1-aminoethyl)-4,5-dihydroxyoxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol
- JI-2OB
- CID 101298740
- 4-O-(2,6-Diamino-2,6,7-trideoxy-α-L-glycero-D-gluco-heptopyranosyl)-6-O-[4-C-methyl-3-(methylamino)-3-deoxy-β-L-arabinopyranosyl]-2-deoxy-D-streptamine
- D-Streptamine, O-3-deoxy-4-C-methyl-3-(methylamino)-β-L-arabinopyranosyl-(1→6)-O-[2,6-diamino-2,6,7-trideoxy-D-glycero-α-D-gluco-heptopyranosyl-(1→4)]-2-deoxy-
- Antibiotic JI 20B
-
- Inchi： 1S/C20H41N5O9/c1-6(21)14-11(27)10(26)9(24)18(32-14)33-15-7(22)4-8(23)16(12(15)28)34-19-13(29)17(25-3)20(2,30)5-31-19/h6-19,25-30H,4-5,21-24H2,1-3H3/t6-,7-,8+,9+,10+,11-,12-,13+,14+,15+,16-,17+,18-,19+,20-/m0/s1
- InChI Key： WYJSPPYVEJPMJA-WAUVBCJQSA-N
- SMILES： O([C@H]1[C@@H]([C@H]([C@@H]([C@@H]([C@H](C)N)O1)O)O)N)[C@@H]1[C@H](C[C@H]([C@@H]([C@H]1O)O[C@@H]1[C@@H]([C@H]([C@](C)(CO1)O)NC)O)N)N
Computed Properties
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 10
- Hydrogen Bond Acceptor Count: 14
- Heavy Atom Count: 34
- Rotatable Bond Count: 6
- Complexity: 682
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 15
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: -6
- Topological Polar Surface Area: 254
Antibiotic JI 20B Related Literature
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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