91032-37-0 (替考拉宁 A2-4,Teicoplanin A2-4)

CAS号:
91032-37-0
中文名称:
替考拉宁 A2-4
英文名称:
Teicoplanin A2-4
分子式:
C89H99Cl2N9O33
分子量:
1893.68488430977

替考拉宁 A2-4(91032-37-0)名称与标识符

名称

中文别名:
替考拉宁 A2-4;
英文别名:
Ristomycin A aglycone, 34-O-2-(acetylamino)-2-deoxy-.beta.-D-glucopyranosyl-22,31-dichloro-7-demethyl-64-O-demethyl-19-deoxy-56-O-2-deoxy-2-(8-methyl-1-oxodecyl)amino-.beta.-D-glucopyranosyl-42-O-.alpha.-D-mannopyranosyl-;Ristomycin A aglycone, 34-O-2-(acetylamino)-2-deoxy-.beta.-D-glucopyranosyl-22,31-dichloro-7-demethyl-64-O-demethyl-19-deoxy-;Ristomycin A aglycone, 34-O-2-(acetylamino)-2-deoxy-.beta.-D-glucopyranosyl-22,31-dichloro-7-demethyl-64-O-demethyl-19-deoxy-56-O-2-deoxy-2-(8-methyl-1-oxodecyl)amino-.beta.-D-glucopyranosyl-42-O-.alp;TEICOPLANIN A2-4;Teichomycin A2-4;Teichomycin A2 factor 4;Teichomycin A(sub 2) factor 4;C13610;Q27116360;1H,15H,34H-20,23:30,33-Dietheno-3,18:35,48-bis(iminomethano)-4,8:10,14:25,28:43,47-tetrametheno-28H-[1,14,6,22]dioxadiazacyclooctacosino[4,5-m][10,2,16]benzoxadiazacyclotetracosine, ristomycin A aglycone deriv. (ZCI);34-O-[2-(Acetylamino)-2-deoxy-β-D-glucopyranosyl]-22,31-dichloro-7-demethyl-64-O-demethyl-19-deoxy-56-O-[2-deoxy-2-[(8-methyl-1-oxodecyl)amino]-β-D-glucopyranosyl]-42-O-α-D-mannopyranosylristomycin A aglycone (ACI);Teicoplanin A 2-4;T-A2-4;83Q83MG55O;91032-37-0;TEICOPLANIN A2-4 [MI];CHEBI:34997;RISTOMYCIN A AGLYCONE, 34-O-(2-(ACETYLAMINO)-2-DEOXY-.BETA.-D-GLUCOPYRANOSYL)-22,31-DICHLORO-7-DEMETHYL-64-O-DEMETHYL-19-DEOXY-56-O-(2-DEOXY-2-((8-METHYL-1-OXODECYL)AMINO)-.BETA.-D-GLUCOPYRANOSYL)-42-O-.ALPHA.-D-MANNOPYRANOSYL-;34-O-(2-(Acetylamino)-2-deoxy-beta-D-glucopyranosyl)-22,31-dichloro-7-demethyl-64-O-demethyl-19-deoxy-56-O-(2-deoxy-2-((8-methyl-1-oxodecyl)amino)-beta-D-glucopyranosyl)-42-O-alpha-D-mannopyranosylristomycin A aglycone;CHEMBL4297105;UNII-83Q83MG55O;BRN 6261978;34-O-[2-(acetamido)-2-deoxy-beta-D-glucopyranosyl]-22,31-dichloro-7-demethyl-64-O-demethyl-19-deoxy-56-O-{2-deoxy-2-[(8-methyl-1-oxodecyl)amino]-beta-D-glucopyranosyl}-42-O-alpha-D-mannopyranosylristomycin A aglycone;34-O-(2-(acetamido)-2-deoxy-beta-D-glucopyranosyl)-22,31-dichloro-7-demethyl-64-O-demethyl-19-deoxy-56-O-(2-deoxy-2-((8-methyl-1-oxodecyl)amino)-beta-D-glucopyranosyl)-42-O-alpha-D-mannopyranosylristomycin A aglycone;CS-0107368;34-O-[2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl]-22,31-dichloro-7-demethyl-64-O-demethyl-19-deoxy-56-O-[2-deoxy-2-[(8-methyl-1-oxodecyl)amino]-beta-D-glucopyranosyl]-42-O-alpha-D-mannopyranosyl-ristomycinAaglycone;HY-130339;

标识符

InChIKey:
KSPOYQQCANXEDC-WNTLLCOUSA-N
Inchi:
1S/C89H99Cl2N9O33/c1-4-34(2)9-7-5-6-8-10-61(109)95-69-75(114)72(111)59(32-102)130-88(69)133-79-56-26-41-27-57(79)127-53-18-14-39(24-48(53)91)78(132-87-68(93-35(3)104)74(113)71(110)58(31-101)129-87)70-85(122)99-67(86(123)124)46-29-43(106)30-55(128-89-77(116)76(115)73(112)60(33-103)131-89)62(46)45-23-38(13-15-50(45)107)64(82(119)100-70)97-84(121)66(41)98-83(120)65-40-21-42(105)28-44(22-40)125-54-25-37(12-16-51(54)108)63(92)81(118)94-49(80(117)96-65)20-36-11-17-52(126-56)47(90)19-36/h11-19,21-30,34,49,58-60,63-78,87-89,101-103,105-108,110-116H,4-10,20,31-33,92H2,1-3H3,(H,93,104)(H,94,118)(H,95,109)(H,96,117)(H,97,121)(H,98,120)(H,99,122)(H,100,119)(H,123,124)/t34?,49-,58-,59-,60-,63-,64-,65+,66-,67+,68-,69-,70+,71-,72-,73-,74-,75-,76+,77+,78-,87+,88+,89+/m1/s1
SMILES:
ClC1=C2C=CC(=C1)[C@H]([C@H]1C(N[C@H](C(=O)O)C3C=C(C=C(C=3C3=C(C=CC(=C3)[C@H](C(N1)=O)NC([C@H]1C3C=C(C(=C(C=3)O2)O[C@H]2[C@@H]([C@H]([C@@H]([C@@H](CO)O2)O)O)NC(CCCCCCC(C)CC)=O)OC2C=CC(=CC=2Cl)C[C@@H]2C(N[C@@H](C3C=C(C=C(C=3)OC3C(=CC=C(C=3)[C@H](C(N2)=O)N)O)O)C(N1)=O)=O)=O)O)O[C@@H]1[C@H]([C@H]([C@@H]([C@@H](CO)O1)O)O)O)O)=O)O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](CO)O1)O)O)NC(C)=O
BRN:
6261978

替考拉宁 A2-4(91032-37-0)物化性质

实验特性

  • 折射率 : 1.749
  • 沸点 : °Cat760mmHg
  • 闪点 : °C
  • 密度 : 1.67

计算特性

  • 精确分子量 : 1891.572232
  • 氢键供体数量 : 24
  • 氢键受体数量 : 34
  • 可旋转化学键数量 : 20
  • 同位素质量 : 1891.572232
  • 重原子数量 : 133
  • 复杂度 : 3960
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 23
  • 不确定原子立构中心数量 : 1
  • 确定化学键立构中心数量 : 0
  • 不确定化学键立构中心数量 : 0
  • 共价键单元数量 : 1
  • 疏水参数计算参考值(XlogP) : 0.8
  • 互变异构体数量 : 768
  • 表面电荷 : 0
  • 拓扑分子极性表面积 : 662

替考拉宁 A2-4(91032-37-0)推荐厂家 更多厂家(4)

公司名称手机号/电话联系人QQ微信询单
江苏永健医药科技有限公司 17701422016韩经理 3587493084
询单
湖北扬信医药科技有限公司 18071854684
0714-3999001
程舒畅 2885409691
询单
上海瀚思化工有限公司 18939883912
021-34536277
顾经理 3003949364
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深圳振强生物技术有限公司 13670046396
86-755-66853366
颜经理 2851296953
询单