| 中文别名 | Dalbavancin(cas:171500-79-1),达巴万星,道古霉素,道古霉素盐酸盐,盐酸达巴万星 |
| 英文别名 | Dalbavancin;171500-79-1;(1S,2R,19R,22R,34S,37R,40R,52S)-5,32-Dichloro-52-{[3-(dimethylamino)propyl]carbamoyl}-2,26,31,44,49-pentahydroxy-47-(alpha-D-mannopyranosyloxy)-22-(methylamino)-21,35,38,54,56,59-hexaoxo-7,13,28-trioxa-20,36,39,53,55,58-hexaazaundecacyclo[38.14.2.2~3,6~.2~14,17~.2~19,34~.1~8,12~.1~23,27~.1~29,33~.1~41,45~.0~10,37~.0~46,51~]hexahexaconta-3,5,8(64),9,11,14,16,23(61),24,26,29(60),30,32,41(57),42,44,4 6,48,50,62,65-henicosaen-64-yl 2-deoxy-2-[(10-methylundecanoyl)amino]-beta-D-glucopyranosiduronic acid |
| CAS号 | 171500-79-1 |
| SMILES | O[C@@H]([C@@H](O)[C@@H]1O)[C@H](O[C@@H]1CO)OC2=C(C3=CC([C@@](C4=O)([H])NC([C@@](NC([C@](NC([C@@](NC5=O)([H])C6)=O)([H])C(C=C7OC(C=C8[C@H]5NC)=C(C=C8)O)=C(C(O)=C7)Cl)=O)([H])C9=CC%10=C(O[C@H](O[C@H](C(O)=O)[C@@H](O)[C@@H]%11O)[C@@H]%11NC(CCCCCCCCC(C)C)=O)C(OC%12=CC=C6C=C%12)=C9)=O)=CC=C3O)C([C@@](NC([C@](N4)([H])[C@@H](C%13=CC=C(O%10)C(Cl)=C%13)O)=O)([H])C(NCCCN(C)C)=O)=CC(O)=C2 |
| Inchi | InChI=1S/C88H100Cl2N10O28/c1-38(2)13-10-8-6-7-9-11-14-61(106)94-70-73(109)75(111)78(86(120)121)128-87(70)127-77-58-31-43-32-59(77)124-55-24-19-42(29-50(55)89)71(107)69-85(119)98-67(80(114)92-25-12-26-100(4)5)48-33-44(102)34-57(125-88-76(112)74(110)72(108)60(37-101)126-88)62(48)47-28-40(17-22-52(47)103)65(82(116)99-69)95-83(117)66(43)96-84(118)68-49-35-46(36-54(105)63(49)90)123-56-30-41(18-23-53(56)104)64(91-3)81(115)93-51(79(113)97-68)27-39-15-20-45(122-58)21-16-39/h15-24,28-36,38,51,60,64-76,78,87-88,91,101-105,107-112H,6-14,25-27,37H2,1-5H3,(H,92,114)(H,93,115)(H,94,106)(H,95,117)(H,96,118)(H,97,113)(H,98,119)(H,99,116)(H,120,121)/t51-,60-,64-,65-,66-,67+,68+,69+,70-,71-,72-,73-,74+,75+,76+,78+,87-,88+/m1/s1 |
| InchiKey | KGPGQDLTDHGEGT-SZUNQUCBSA-N |
| 分子式 Formula | C88H100Cl2N10O28 |
| 分子量 Molecular Weight | 1816.69 |
| Polarizability极化度 | 179.7±0.5 10-24cm3 |
| 密度 Density | 1.6±0.1 g/cm3 |
| 溶解度Solubility | 生物体外In Vitro:DMSO溶解度≥ 24 mg/mL(13.21 mM)*"≥" means soluble可溶, but saturation unknown溶解度未知. |
| 性状 | 固体粉末,Power |
| 储藏条件 Storage conditions | -20℃ 3 years年 / In solvent溶液中:-80℃ 6 months月 -20℃ 1 month月 |
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