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Xanthylium,3,6-bis(diethylamino)-9-[4-[[[12-[[2-hydroxy-1-[[(3-O-sulfo-b-D-galactopyranosyl)oxy]methyl]-3-heptadecenyl]amino]-12-oxododecyl]amino]sulfonyl]-2-sulfophenyl]-,inner salt, [R-[R*,S*-(E)]]- (9CI) | 128969-82-4

Xanthylium,3,6-bis(diethylamino)-9-[4-[[[12-[[2-hydroxy-1-[[(3-O-sulfo-b-D-galactopyranosyl)oxy]methyl]-3-heptadecenyl]amino]-12-oxododecyl]amino]sulfonyl]-2-sulfophenyl]-,inner salt, [R-[R*,S*-(E)]]- (9CI)结构式图片|128969-82-4结构式图片
Xanthylium,3,6-bis(diethylamino)-9-[4-[[[12-[[2-hydroxy-1-[[(3-O-sulfo-b-D-galactopyranosyl)oxy]methyl]-3-heptadecenyl]amino]-12-oxododecyl]amino]sulfonyl]-2-sulfophenyl]-,inner salt, [R-[R*,S*-(E)]]- (9CI)
128969-82-4
C63H98N4O17S3
1279.66382
6441223
名称和标识符
InChIKey FIRSTKRJDGFCEJ-FVLPCCLVSA-N
Inchi InChI=1S/C63H98N4O17S3/c1-6-11-12-13-14-15-16-17-18-20-23-26-29-32-53(69)52(45-81-63-61(72)62(84-87(78,79)80)60(71)56(44-68)83-63)65-58(70)33-30-27-24-21-19-22-25-28-31-40-64-85(73,74)48-36-39-51(57(43-48)86(75,76)77)59-49-37-34-46(66(7-2)8-3)41-54(49)82-55-42-47(35-38-50(55)59)67(9-4)10-5/h29,32,34-39,41-43,52-53,56,60-64,68-69,71-72H,6-28,30-31,33,40,44-45H2,1-5H3,(H2-,65,70,75,76,77,78,79,80)/b32-29+/t52-,53+,56+,60-,61+,62-,63+/m0/s1
SMILES CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](OS(=O)(O)=O)[C@H]1O)NC(CCCCCCCCCCCNS(C1C=CC(C2C3C=CC(=CC=3OC3=C/C(/C=CC=23)=[N+](\CC)/CC)N(CC)CC)=C(S([O-])(=O)=O)C=1)(=O)=O)=O)O
别名信息
- 中文别名 -
- 英文别名 -
  • Xanthylium,3,6-bis(diethylamino)-9-[4-[[[12-[[2-hydroxy-1-[[(3-O-sulfo-b-D-galactopyranosyl)oxy]methyl]-3-heptadecenyl]amino]-12-oxododecyl]amino]sulfonyl]-2-sulfophenyl]-,inner salt, [R-[R*,S*-(E)]]- (9CI)
  • 2-[3-(diethylamino)-6-diethylazaniumylidenexanthen-9-yl]-5-[[12-[[(E,2S,3R)-1-[(2R,3R,4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-sulfooxyoxan-2-yl]oxy-3-hydroxyoctadec-4-en-2-yl]amino]-12-oxododecyl]
  • N-lissamine rhodaminyl-(12-aminododecanoyl)cerebroside 3-sulfate
  • Xanthylium,3,6-bis(diethylamino)-9-[4-[[[12-[[2-hydroxy-1-[[(3-O-sulfo-b-D-galactopyranosyl)oxy]methyl]-3-heptadecenyl]amino]
  • Xanthylium,3,6-bis(diethylamino)-9-[4-[[[12-[[2-hydroxy-1-[[(3-O-sulfo-b-D-galactopyranosyl)oxy]methyl]-3-heptadecenyl]amino]-12-oxododecyl]amino]sulfonyl]-2-sulfophenyl]-,inner salt, [R-[R*,S*-(E)]]-
  • (R-(R*,S*,-(E)))-3,6-Bis(diethylamino)-9-(4-(((12-((2-hydroxy-1-(((3-O-sulfo-beta-D-galactopyranosyl)oxy)methyl)-3-heptadecenyl)amino)-12-oxodecyl)amino)sulfonyl)-2-sulfophenyl)xanthylium hydroxide, inner salt
  • Lrh-CS
  • Sgalcer-RH
  • Xanthylium, 3,6-bis(diethylamino)-9-(4-(((12-((2-hydroxy-1-(((3-O-sulfo-beta-D-galactopyranosyl)oxy)methyl)-3-heptadecenyl)amino)-12-oxodecyl)a
  • Xanthylium, 3,6-bis(diethylamino)-9-(4-(((12-((2-hydroxy-1-(((3-O-sulfo-beta-D-galactopyranosyl)oxy)methyl)-3-heptadecenyl)amino)-12-oxodecyl)amino)sulfonyl)-2-sulfophenyl)-, hydroxide, inner salt, (R-(R*,S*,-(E)))-
  • N-Lissamine rhodaminyl-(12-aminododecanoyl)cerebroside 3-sulfate
  • 128969-82-4
  • 2-[3-(diethylamino)-6-diethylazaniumylidenexanthen-9-yl]-5-[[12-[[(E,2S,3R)-1-[(2R,3R,4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-sulfooxyoxan-2-yl]oxy-3-hydroxyoctadec-4-en-2-yl]amino]-12-oxododecyl]sulfamoyl]benzenesulfonate
物化性质
计算特性
精确分子量 1278.60891
氢键供体数量 7
氢键受体数量 19
可旋转化学键数量 41
同位素质量 1278.60891
重原子数量 87
复杂度 2490
同位素原子数量 0
确定原子立构中心数量 7
不确定原子立构中心数量 0
确定化学键立构中心数量 1
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) 10
拓扑分子极性表面积 336
专业数据库参考
PubChemId 6441223
960化工网为您提供Xanthylium,3,6-bis(diethylamino)-9-[4-[[[12-[[2-hydroxy-1-[[(3-O-sulfo-b-D-galactopyranosyl)oxy]methyl]-3-heptadecenyl]amino]-12-oxododecyl]amino]sulfonyl]-2-sulfophenyl]-,inner salt, [R-[R*,S*-(E)]]- (9CI)专业化合物百科信息,包括中文名,英文名,分子式,分子量,以及该化合物的CasNo.:128969-82-4,和相关理化性质;并提供了优质生产厂家信息包括厂家名称和联系方式等;| WAP 版:128969-82-4
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