Cas no 135559-95-4 ((3S,7R,10R,11R)-10-[(2R,3R,4R,5R,6S)-4-Amino-3,5-dihydroxy-6-methyl-oxan-2-yl]oxy-3,7,11- triethyl-1-azacyclotetradecan- 2-one)
![(3S,7R,10R,11R)-10-[(2R,3R,4R,5R,6S)-4-Amino-3,5-dihydroxy-6-methyl-oxan-2-yl]oxy-3,7,11- triethyl-1-azacyclotetradecan- 2-one structure](https://ossimg.kuujia.com/scimg/136000/135559-95-4x500.png)
135559-95-4 structure
Product Name:(3S,7R,10R,11R)-10-[(2R,3R,4R,5R,6S)-4-Amino-3,5-dihydroxy-6-methyl-oxan-2-yl]oxy-3,7,11- triethyl-1-azacyclotetradecan- 2-one
CAS No:135559-95-4
MF:C25H48N2O5
MW:456.659028053284
CID:900742
PubChem ID:131890
Update Time:2025-04-19
(3S,7R,10R,11R)-10-[(2R,3R,4R,5R,6S)-4-Amino-3,5-dihydroxy-6-methyl-oxan-2-yl]oxy-3,7,11- triethyl-1-azacyclotetradecan- 2-one Chemical and Physical Properties
Names and Identifiers
-
- (3S,7R,10R,11R)-10-[(2R,3R,4R,5R,6S)-4-Amino-3,5-dihydroxy-6-methyl-oxan-2-yl]oxy-3,7,11- triethyl-1-azacyclotetradecan- 2-one
- (5R,6R,9S,13R)-5,9,13-triethyl-14-oxoazacyclotetradecan-6-yl 3-amino-3,6-dideoxy-alpha-L-talopyranoside
- Sch 39185
- Sch-39185
- Azacyclotetradecan-2-one, 10-((3-amino-3,6-dideoxy-alpha-L-talopyranosyl)oxy)-3,7,11-triethyl-, (3R-(3R*,7S*,10R*,11R*))-
- 135559-95-4
- CHEBI:214587
- (3R,7S,10R,11R)-10-[(2R,3R,4R,5S,6S)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl]oxy-3,7,11-triethyl-azacyclotetradecan-2-one
-
- Inchi： 1S/C25H48N2O5/c1-5-17-10-8-11-19(7-3)24(30)27-15-9-12-18(6-2)20(14-13-17)32-25-23(29)21(26)22(28)16(4)31-25/h16-23,25,28-29H,5-15,26H2,1-4H3,(H,27,30)/t16-,17-,18+,19+,20+,21+,22+,23+,25-/m0/s1
- InChI Key： RSMFLBIGOXZFRL-OLAQZZBPSA-N
- SMILES： O([C@H]1[C@@H]([C@@H]([C@@H]([C@H](C)O1)O)N)O)[C@@H]1CC[C@@H](CC)CCC[C@@H](CC)C(NCCC[C@H]1CC)=O
Computed Properties
- Exact Mass: 456.35632264g/mol
- Monoisotopic Mass: 456.35632264g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 32
- Rotatable Bond Count: 5
- Complexity: 548
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 9
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.6
- Topological Polar Surface Area: 114?2
(3S,7R,10R,11R)-10-[(2R,3R,4R,5R,6S)-4-Amino-3,5-dihydroxy-6-methyl-oxan-2-yl]oxy-3,7,11- triethyl-1-azacyclotetradecan- 2-one Related Literature
-
Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
-
Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
-
Riccardo Spezia,Stefan Knecht,Benedetta Mennucci Phys. Chem. Chem. Phys., 2017,19, 17156-17166
-
Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
135559-95-4 ((3S,7R,10R,11R)-10-[(2R,3R,4R,5R,6S)-4-Amino-3,5-dihydroxy-6-methyl-oxan-2-yl]oxy-3,7,11- triethyl-1-azacyclotetradecan- 2-one) Related Products
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