Esperamicin A2
概要：Esperamicin A2（CAS 99674-27-8）是一种化学化合物，分子式为C59H80N4O22S4，分子量为1324.41 g/mol。河南科弘生物科技有限公司提供CRO/CDMO定制合成服务，支持克级到吨级规格。
[(2S,3S,4S,6S)-4-hydroxy-6-[[(5Z,13E)-9-hydroxy-2-[(2S,3S,4R,5R,6S)-4-hydroxy-5-[[(2R,4R,5R,6S)-4-hydroxy-6-methyl-5-methylsulfanyloxan-2-yl]oxyamino]-3-[(2S,4S,5S)-4-methoxy-5-(propan-2-ylamino)oxan-2-yl]oxy-6-methyloxan-2-yl]oxy-12-(methoxycarbonylamino)-13-[2-(methyltrisulfanyl)ethylidene]-11-oxo-10-bicyclo[7.3.1]trideca-1(12),5-dien-3,7-diynyl]oxy]-2-methyloxan-3-yl] 4,5-dimethoxy-2-(2-methoxyprop-2-enoylamino)benzoate
又称：Esperamicin A2, [(2S,3S,4S,6S)-4-hydroxy-6-[[(5Z,13E)-9-hydroxy-2-[(2S,3S,4R,5R,6S)-4-hydroxy-5-[[(2R,4R,5R,6S)-4-hydroxy-6-methyl-5-methylsulfanyloxan-2-yl]oxyamino]-3-[(2S,4S,5S)-4-methoxy-5-(propan-2-ylamino)oxan-2-yl]oxy-6-methyloxan-2-yl]oxy-12-(methoxycarbonylamino)-13-[2-(methyltrisulfanyl)ethylidene]-11-oxo-10-bicyclo[7.3.1]trideca-1(12),5-dien-3,7-diynyl]oxy]-2-methyloxan-3-yl] 4,5-dimethoxy-2-(2-methoxyprop-2-enoylamino)benzoate, Carbamic acid, (8-((4,6-dideoxy-2-O-(2,4-dideoxy-3-O-methyl-4-((1-methylethyl)amino)-alpha-L-threo-pentopyranosyl)-4-(((2,6-dideoxy-4-S-methyl-4-thio-beta-D-ribo-hexopyranosyl)oxy)amino)-beta-D-glucopyranosyl)oxy)-12-((2,6-dideoxy-4-O-(4,5-dimethoxy-2-((2-methoxy-1-oxo-2-propenyl)amino)benzoyl)-alpha-L-ylxo-hexopyranosyl)oxy)-1-hydroxy-13-(2-(methyltrithio)ethylidene)-11-oxobicyclo(7.3.1)trideca-4,9-diene-2,6-diyn-10-yl)-, methyl ester, (1R-(1R*,, Carbamic acid, (8-((4,6-dideoxy-2-O-(2,4-dideoxy-3-O-methyl-4-((1-methylethyl)amino)-alpha-L-threo-pentopyranosyl)-4-(((2,6-dideoxy-4-S-methyl-4-thio-beta-D-ribo-hexopyranosyl)oxy)amino)-beta-D-glucopyranosyl)oxy)-12-((2,6-dideoxy-4-O-(4,5-dimethoxy-2-((2-methoxy-1-oxo-2-propenyl)amino)benzoyl)-alpha-L-ylxo-hexopyranosyl)oxy)-1-hydroxy-13-(2-(methyltrithio)ethylidene)-11-oxobicyclo(7.3.1)trideca-4,9-diene-2,6-diyn-10-yl)-, methyl ester, (1R-(1R*,4Z,8S*,12S*,13E))-
| 分子式 | C59H80N4O22S4 |
|---|---|
| 分子量 | 1324.41 g/mol |
| LogP | 3.4164 |
| 拓扑极性表面积 | 326.54 Ų |
| 氢键供体数 | 8 |
| 氢键受体数 | 28 |
| 可旋转键数 | 25 |
| 精确质量 | 1324.4147 |
| 重原子数 | 89 |
| 复杂度 | 2875.037 |
化学标识符
| CAS 编号 | 99674-27-8 |
|---|---|
| SMILES | C[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)OC2C#C/C=C\C#CC\3(C(C(=O)C(=C2/C3=C\CSSSC)NC(=O)OC)O[C@H]4C[C@@H]([C@@H]([C@@H](O4)C)OC(=O)C5=CC(=C(C=C5NC(=O)C(=C)OC)OC)OC)O)O)O[C@H]6C[C@@H]([C@H](CO6)NC(C)C)OC)O)NO[C@@H]7C[C@H]([C@H]([C@@H](O7)C)SC)O |
产品概述
Esperamicin A2（CAS 99674-27-8），分子式为C59H80N4O22S4，分子量为1324.41 g/mol。IUPAC名：[(2S,3S,4S,6S)-4-hydroxy-6-[[(5Z,13E)-9-hydroxy-2-[(2S,3S,4R,5R,6S)-4-hydroxy-5-[[(2R,4R,5R,6S)-4-hydroxy-6-methyl-5-methylsulfanyloxan-2-yl]oxyamino]-3-[(2S,4S,5S)-4-methoxy-5-(propan-2-ylamino)oxan-2-yl]oxy-6-methyloxan-2-yl]oxy-12-(methoxycarbonylamino)-13-[2-(methyltrisulfanyl)ethylidene]-11-oxo-10-bicyclo[7.3.1]trideca-1(12),5-dien-3,7-diynyl]oxy]-2-methyloxan-3-yl] 4,5-dimethoxy-2-(2-methoxyprop-2-enoylamino)benzoate。
Esperamicin A2化学性质概览
属性洞察：Esperamicin A2
Esperamicin A2的XLogP值为3.4164，表明该化合物具有亲脂性（脂溶性好），可能影响其吸收、分布和配方策略。 TPSA为326.54 Ų，极性较高，提示该化合物膜透过性可能受限但水溶性较好。 根据Lipinski五规则，Esperamicin A2有8个氢键供体和28个氢键受体，可能需要考虑配方优化。
常见问题
常见问题
Esperamicin A2的CAS号是多少？
Esperamicin A2的CAS号为99674-27-8。
Esperamicin A2的分子式是什么？
Esperamicin A2的分子式为C59H80N4O22S4。
Esperamicin A2的分子量是多少？
Esperamicin A2的分子量为1324.41 g/mol。
在哪里可以购买Esperamicin A2？
您可以直接向科弘生物询价Esperamicin A2。联系我们或发送邮件至info@kehongbio.com获取报价和库存信息。
科弘生物是否提供Esperamicin A2的定制合成服务？
是的，科弘生物提供Esperamicin A2及相关化合物的定制合成服务。请联系我们并告知您的具体需求，包括数量、纯度和交期。