硼霉素
Boromycin · CAS 34524-20-4
- 中文名
- 硼霉素
- 中文别名
- 暂无
- 英文名
- Boromycin
- CAS
- 34524-20-4
- CID
- 76962270
- IUPAC 名称
- [(1R)-1-[(1S,2R,5S,7Z,11S,13S,16R,17S,21R,24S,25R,27R,31R,33S,36R)-11,31-dihydroxy-12,12,16,25,32,32,36-heptamethyl-3,22-dioxo-4,18,20,23,26,37,38,40,41-nonaoxa-19-boranuidaheptacyclo[17.17.1.11,33.12,19.113,17.124,27.017,21]hentetracont-7-en-5-yl]ethyl] (2R)-2-amino-3-methylbutanoate;hydron
名称与编号
- 中文名
- 硼霉素
- 中文别名
- 暂无
- 英文名
- Boromycin
- CAS
- 34524-20-4
- CID
- 76962270
- IUPAC 名称
- [(1R)-1-[(1S,2R,5S,7Z,11S,13S,16R,17S,21R,24S,25R,27R,31R,33S,36R)-11,31-dihydroxy-12,12,16,25,32,32,36-heptamethyl-3,22-dioxo-4,18,20,23,26,37,38,40,41-nonaoxa-19-boranuidaheptacyclo[17.17.1.11,33.12,19.113,17.124,27.017,21]hentetracont-7-en-5-yl]ethyl] (2R)-2-amino-3-methylbutanoate;hydron
分子属性
- 分子式
- C45H74BNO15
- 分子量
- 879.9 g/mol
- 精确质量
- 879.5151508 Da
- 单同位素质量
- 879.5151508 Da
- XLogP
- 暂无
- 极性表面积
- 210 Ų
- 氢键供体
- 4
- 氢键受体
- 17
- 可旋转键
- 5
- 重原子数
- 62
- 净电荷
- 0
- 结构复杂度
- 1680
结构标识
- InChIKey
- OOBFYEMEQCZLJL-QOSBFELUSA-O
- SMILES
- [H+].[B-]123O[C@H]4C(=O)O[C@@H](C/C=C\CC[C@@H](C([C@@H]5CC[C@H]([C@](O1)(O5)[C@@H](O2)C(=O)O[C@H]6C[C@@H](CCC[C@H](C([C@@H]7CC[C@H]([C@]4(O3)O7)C)(C)C)O)O[C@@H]6C)C)(C)C)O)[C@@H](C)OC(=O)[C@@H](C(C)C)N
- InChI
- InChI=1S/C45H73BNO15/c1-24(2)36(47)39(50)54-27(5)30-16-12-11-13-17-32(48)42(7,8)34-21-19-26(4)45(57-34)38-41(52)56-31-23-29(53-28(31)6)15-14-18-33(49)43(9,10)35-22-20-25(3)44(58-35)37(40(51)55-30)59-46(60-38,61-44)62-45/h11-12,24-38,48-49H,13-23,47H2,1-10H3/q-1/p+1/b12-11-/t25-,26-,27-,28-,29-,30+,31+,32+,33-,34+,35+,36-,37+,38+,44-,45-,46?/m1/s1