111308-93-1 (叶绿素C3(AS)(InSolution),Magnesate(1-),[13,21-dimethyl(21R)-3-[(1E)-2-carboxyethenyl]-3,4-didehydro-9,14-diethenyl-4,8,18-trimethyl-20-oxo-13,21-phorbinedicarboxylato(3-)-kN23,kN24,kN25,kN26]-, hydrogen (1:1), (SP-4-2)-)

CAS号:
111308-93-1
中文名称:
叶绿素C3(AS)(InSolution)
英文名称:
Magnesate(1-),[13,21-dimethyl(21R)-3-[(1E)-2-carboxyethenyl]-3,4-didehydro-9,14-diethenyl-4,8,18-trimethyl-20-oxo-13,21-phorbinedicarboxylato(3-)-kN23,kN24,kN25,kN26]-, hydrogen (1:1), (SP-4-2)-
分子式:
C36H28MgN4O7
分子量:
652.935129165649

叶绿素C3(AS)(InSolution)(111308-93-1)名称与标识符

名称

中文别名:
叶绿素C3;叶绿素C3(AS)(InSolution);
英文别名:
Magnesate(1-),[13,21-dimethyl(21R)-3-[(1E)-2-carboxyethenyl]-3,4-didehydro-9,14-diethenyl-4,8,18-trimethyl-20-oxo-13,21-phorbinedicarboxylato(3-)-kN23,kN24,kN25,kN26]-, hydrogen (1:1), (SP-4-2)-;CHLOROPHYLL C3;CHLOROPHYLL C3(AS) (In Solution);CHLOROPHYLL C3(AS) (In Solution) PrintBack;Magnesate(1-),[13,21-dimethyl(21R)-3-[(1E)-2-carboxyethenyl]-3,4-didehydro-9,14-diethenyl-4,8,18-trimethyl-20-oxo-13,21-phorb;Magnesate(1-), [13,21-dimethyl3-(2-carboxyethenyl)-3,4-didehydro-9,14-diethenyl-4,8,18-trimethyl-20-oxo-13,21-phorbinedicarboxylato(3-)-N23,N24,N25,N26]-,hydrogen, [SP-4-2-(E)]-;Magnesate(1-),[13,21-dimethyl3-(2-carboxyethenyl)-3,4-didehydro-9,14-diethenyl-4,8,18-trimethyl-20-oxo-13,21-phorbinedicarboxylato(3-)-kN23,kN24,kN25,kN26]-, hydrogen, [SP-4-2-(E)]-;Phorbine, magnesate(1-) deriv.;CHLOROPHYLL C3(SH);Magnesate(1-), (13,21-dimethyl 3-(2-carboxyethenyl)-3,4-didehydro-9,14-diethenyl-4,8,18-trimethyl-20-oxo-13,21-phorbinedicarboxylato(3-)-kappan23,kappan24,kappan25,kappan26)-, hydrogen, (sp-4-2-(E))-;111308-93-1;MAGNESATE(1-), (13,21-DIMETHYL 3-(2-CARBOXYETHENYL)-3,4-DIDEHYDRO-9,14-DIETHENYL-4,8,18-TRIMETHYL-20-OXO-13,21-PHORBINEDICARBOXYLATO(3-)-.KAPPA.N23,.KAPPA.N24,.KAPPA.N25,.KAPPA.N26)-, HYDROGEN, (SP-4-2-(E))-;MAGNESATE(1-), (13,21-DIMETHYL (21R)-3-((1E)-2-CARBOXYETHENYL)-3,4-DIDEHYDRO-9,14-DIETHENYL-4,8,18-TRIMETHYL-20-OXO-13,21-PHORBINEDICARBOXYLATO(3-)-.KAPPA.N23,.KAPPA.N24,.KAPPA.N25,.KAPPA.N26)-, HYDROGEN (1:1), (SP-4-2)-;UNII-FMN10170B8;Magnesate(1-), (13,21-dimethyl (21R)-3-((1E)-2-carboxyethenyl)-3,4-didehydro-9,14-diethenyl-4,8,18-trimethyl-20-oxo-13,21-phorbinedicarboxylato(3-)kappa23,kappan24,kappan25,kappan26)-, hydrogen (1:1), (sp-4-2)-;FMN10170B8;magnesium;(E)-3-[(3R)-11,16-bis(ethenyl)-3,12-bis(methoxycarbonyl)-17,21,26-trimethyl-4-oxido-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,4,6,8(26),9,11,13,15(24),16,18,20(23),21-dodecaen-22-yl]prop-2-enoate;Magnesate(1-), (13,21-dimethyl 3-(2-carboxyethenyl)-3,4-didehydro-9,14-diethenyl-4,8,18-trimethyl-20-oxo-13,21-phorbinedicarboxylato(3-)-N23,N24,N25,N26)-, hydrogen, (sp-4-2-(E))-;

标识符

InChIKey:
CWLZENTWIZFJMW-XUUVDDQRSA-L
Inchi:
1S/C36H30N4O7.Mg/c1-8-18-15(3)21-12-22-16(4)20(10-11-27(41)42)32(39-22)30-31(36(45)47-7)34(43)28-17(5)23(40-33(28)30)13-25-19(9-2)29(35(44)46-6)26(38-25)14-24(18)37-21;/h8-14,31,38,43H,1-2H2,3-7H3,(H,41,42);/q;+2/p-2/b11-10+,21-12-,25-13-,26-14-,32-30-;/t31-;/m1./s1
SMILES:
[Mg+2].[O-]C1=C2C(C)=C3C=C4C(C=C)=C(C(=O)OC)C(=CC5C(C=C)=C(C)C(=CC6C(C)=C(/C=C/C(=O)[O-])C(=C(C2=N3)[C@H]1C(=O)OC)N=6)N=5)N4 |t:6,16,24,35|

叶绿素C3(AS)(InSolution)(111308-93-1)物化性质

实验特性

  • LogP : 0.71400
  • PSA : 168.66000

计算特性

  • 精确分子量 : 652.18100
  • 氢键供体数量 : 1
  • 氢键受体数量 : 11
  • 可旋转化学键数量 : 7
  • 同位素质量 : 652.1808409g/mol
  • 重原子数量 : 48
  • 复杂度 : 2090
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 1
  • 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 : 2
  • 拓扑分子极性表面积 : 165Ų

叶绿素C3(AS)(InSolution)(111308-93-1)推荐厂家 更多厂家(2)

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