Cas no 31077-70-0 (Nebramycin III)
Nebramycin III structure
Product Name:Nebramycin III
CAS No:31077-70-0
MF:C18H36N4O11
MW:484.498645782471
CID:311664
Update Time:2024-02-29
Nebramycin III Chemical and Physical Properties
Names and Identifiers
-
- hexopyranoside, 4,6-diamino-3-(hexopyranosyloxy)-2-hydroxycyclohexyl 2,6-diamino-2,6-dideoxy-
- 4-O-(2,6-Diamino-2,6-dideoxy-α-D-glucopyranosyl)-6-O-(α-D-glucopyranosyl)-2-deoxy-D-streptamine
- Nebramycin III
- Nebramycin factor 3
- 3''-deamino-3''-hydroxykanamycin B
- NK 1012-1
- 3'-Deamino-3'-hydroxykanamycin B
- 9R6480TQ34
- (1S,2S,3R,4S,6R)-4,6-diamino-3-[(2,6-diamino-2,6-dideoxy-alpha-D-glucopyranosyl)oxy]-2-hydroxycyclohexyl alpha-D-glucopyranoside
- Streptamine, O-2,6-diamino-2,6-dideoxy-alpha-D-glucopyranosyl-(1-4)-O-(alpha-D-glucopyranosyl-(1-6))-2-deoxy-, D-
- C21254
- Q27140226
-
- Inchi： 1S/C18H36N4O11/c19-2-6-9(24)11(26)8(22)17(30-6)32-15-4(20)1-5(21)16(14(15)29)33-18-13(28)12(27)10(25)7(3-23)31-18/h4-18,23-29H,1-3,19-22H2/t4-,5+,6+,7+,8+,9+,10+,11+,12-,13+,14-,15+,16-,17+,18+/m0/s1
- InChI Key： MOWMHIINUAQFMU-DNBVWFFRSA-N
- SMILES： O([C@@H]1[C@@H]([C@H]([C@@H]([C@@H](CN)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@@H]([C@@H](CO)O1)O)O)O)N)N
Computed Properties
- Exact Mass: 484.238
- Monoisotopic Mass: 484.238
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 11
- Hydrogen Bond Acceptor Count: 15
- Heavy Atom Count: 33
- Rotatable Bond Count: 6
- Complexity: 638
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 15
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 283
Experimental Properties
- Density: 1.62
- Boiling Point: 793°Cat760mmHg
- Flash Point: 433.4°C
- Refractive Index: 1.669
Nebramycin III Related Literature
-
Fumitaka Kudo,Tadashi Eguchi Nat. Prod. Rep. 2022 39 1622
-
Sherif I. Elshahawi,Khaled A. Shaaban,Madan K. Kharel,Jon S. Thorson Chem. Soc. Rev. 2015 44 7591
-
3. Subject index, 1973
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