CAS NO: | 121869-35-0 |
包装: | 0.5mg |
市场价: | 2660元 |
中文别名 | 9-(2,5-d|-Dioxo-L-3-amino-1-pyrrolidineacetic acid)-10-deglycine Daptomycin(cas:121869-35-0) |
CAS号 | 121869-35-0 |
SMILES | CCCCCCCCCC(=N[C@@H](CC1=CNC2=CC=CC=C12)C(=N[C@@H](CC(=N)O)C(=N[C@@H](CC(=O)O)C(=N[C@H]3[C@@H](C)OC(=O)[C@H](CC(=O)C4=CC=CC=C4N)N=C([C@H]([C@H](C)CC(=O)O)N=C([C@@H](CO)N=C(CN5C(=O)C[C@@H](C5=O)N=C([C@@H](C)N=C([C@H](CC(=O)O)N=C([C@H](CCCN)N=C(CN=C3O)O)O)O)O)O)O)O)O)O)O)O CCCCCCCCCC(=O)N[C@@H](Cc1c[nH]c2c1cccc2)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H]3[C@H](OC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)CN4C(=O)C[C@@H](C4=O)NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC3=O)CCCN)CC(=O)O)C)CO)[C@H](C)CC(=O)O)CC(=O)c5ccccc5N)C |
Inchi | InChI=1S/C72H99N17O25/c1-5-6-7-8-9-10-11-22-53(93)80-44(25-38-31-76-42-20-15-13-17-39(38)42)65(106)82-45(27-52(75)92)66(107)84-47(30-59(101)102)67(108)88-61-37(4)114-72(113)49(26-51(91)40-18-12-14-19-41(40)74)86-70(111)60(35(2)24-57(97)98)87-68(109)50(34-90)81-55(95)33-89-56(96)28-48(71(89)112)85-62(103)36(3)78-64(105)46(29-58(99)100)83-63(104)43(21-16-23-73)79-54(94)32-77-69(61)110/h12-15,17-20,31,35-37,43-50,60-61,76,90H,5-11,16,21-30,32-34,73-74H2,1-4H3,(H2,75,92)(H,77,110)(H,78,105)(H,79,94)(H,80,93)(H,81,95)(H,82,106)(H,83,104)(H,84,107)(H,85,103)(H,86,111)(H,87,109)(H,88,108)(H,97,98)(H,99,100)(H,101,102)/t35-,36-,37-,43+,44+,45+,46+,47+,48+,49+,50-,60+,61+/m1/s1 |
InchiKey | ORZVJBWXRAJYHN-RWDRXURGSA-N |
分子式 Formula | C72H99N17O25 |
分子量 Molecular Weight | 1602.66 |
闪点 FP | 1179.0±34.3 ℃ |
熔点 Melting point | >115℃ (dec.) |
沸点 Boiling point | 2025.9±65.0 ℃ at 760 mmHg |
Polarizability极化度 | 157.0±0.5 10-24cm3 |
密度 Density | 1.5±0.1 g/cm3 |
蒸汽压 Vapor Pressure | 0.0±0.3 mmHg at 25℃ |
储藏条件 Storage conditions | storage at -4℃ (1-2weeks), longer storage period at -20℃ (1-2years) |