54353-24-1 (2-[4-[(2-氨基-5-甲酰基-4-氧代-5,6,7,8-四氢-1H-蝶啶-6-基)甲基氨基]苯甲酰基]氨基戊二酸,D-Glutamic acid,N-[4-[[(2-amino-5-formyl-3,4,5,6,7,8-hexahydro-4-oxo-6-pteridinyl)methyl]amino]benzoyl]-)

CAS号:
54353-24-1
中文名称:
2-[4-[(2-氨基-5-甲酰基-4-氧代-5,6,7,8-四氢-1H-蝶啶-6-基)甲基氨基]苯甲酰基]氨基戊二酸
英文名称:
D-Glutamic acid,N-[4-[[(2-amino-5-formyl-3,4,5,6,7,8-hexahydro-4-oxo-6-pteridinyl)methyl]amino]benzoyl]-
分子式:
C20H23N7O7
分子量:
473.439323663712

2-[4-[(2-氨基-5-甲酰基-4-氧代-5,6,7,8-四氢-1H-蝶啶-6-基)甲基氨基]苯甲酰基]氨基戊二酸(54353-24-1)名称与标识符

名称

中文别名:
2-[4-[(2-氨基-5-甲酰基-4-氧代-5,6,7,8-四氢-1H-蝶啶-6-基)甲基氨基]苯甲酰基]氨基戊二酸;
英文别名:
D-Glutamic acid,N-[4-[[(2-amino-5-formyl-3,4,5,6,7,8-hexahydro-4-oxo-6-pteridinyl)methyl]amino]benzoyl]-;2-[4-[(2-amino-5-formyl-4-oxo-5,6,7,8-tetrahydro-1H-pteridin-6-yl)methylamino]benzoyl]aminopentanedioic acid;D-glutamic acid, N-[4-[[(2-amino-4,8-dihydro-4-oxo-6-pteridinyl)methyl]amino]benzoyl]-;D-glutamic acid, N-[4-[[(2-amino-4-hydroxy-6-pteridinyl)methyl]amino]benzoyl]-;N-(4-{[(2-Amino-4-hydroxypteridin-6-yl)methyl]amino}benzoyl)-D-glutamic acid;N-(4-{[(2-Amino-4-oxo-4,8-dihydropteridin-6-yl)methyl]amino}benzoyl)-D-glutamic acid;N-[4-[[(2-Amino-5-formyl-3,4,5,6,7,8-hexahydro-4-oxo-6-pteridinyl)methyl]amino]benzoyl]-D-glutamic acid;Novo-folacid;N-pteroyl-D-glutamic acid;NS00120052;(2R)-2-[(4-{[(2-amino-5-formyl-4-oxo-1,4,5,6,7,8-hexahydropteridin-6-yl)methyl]amino}phenyl)formamido]pentanedioic acid;54353-24-1;(2R)-2-[[4-[(2-amino-5-ormyl-4-oxo-3,6,7,8-tetrahydropteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid;Apo-Folic;CHEMBL224622;SCHEMBL21632556;d-folinic acid;N-[4-[[(2-amino-5-formyl-1,4,5,6,7,8-hexahydro-4-oxo-6-pteridinyl)methyl]amino]benzoyl]-D-Glutamic acid;Pteroyl-D-glutamic acid;d-folinicacid;leucovorin;CHEBI:191174;D-Glutamic acid, N-(4-(((2-amino-5-formyl-3,4,5,6,7,8-hexahydro-4-oxo-6-pteridinyl)methyl)amino)benzoyl)-;Mvc Plus;DTXSID401111795;

标识符

InChIKey:
VVIAGPKUTFNRDU-ZGTCLIOFSA-N
Inchi:
1S/C20H23N7O7/c21-20-25-16-15(18(32)26-20)27(9-28)12(8-23-16)7-22-11-3-1-10(2-4-11)17(31)24-13(19(33)34)5-6-14(29)30/h1-4,9,12-13,22H,5-8H2,(H,24,31)(H,29,30)(H,33,34)(H4,21,23,25,26,32)/t12?,13-/m1/s1
SMILES:
O=C1C2=C(N=C(N)N1)NCC(CNC1C=CC(C(N[C@@H](C(=O)O)CCC(=O)O)=O)=CC=1)N2C=O

2-[4-[(2-氨基-5-甲酰基-4-氧代-5,6,7,8-四氢-1H-蝶啶-6-基)甲基氨基]苯甲酰基]氨基戊二酸(54353-24-1)物化性质

实验特性

  • LogP : log Kow = -4.45 /Estimated/
  • PSA : 208.99
  • 折射率 : 1.762
  • 熔点 : 245 deg C (decomp)
  • 密度 : 1.68

计算特性

  • 精确分子量 : 441.13987
  • 氢键供体数量 : 7
  • 氢键受体数量 : 9
  • 可旋转化学键数量 : 9
  • 同位素质量 : 473.165896
  • 重原子数量 : 34
  • 复杂度 : 911
  • 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 : 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) : -1.2
  • 拓扑分子极性表面积 : 216

2-[4-[(2-氨基-5-甲酰基-4-氧代-5,6,7,8-四氢-1H-蝶啶-6-基)甲基氨基]苯甲酰基]氨基戊二酸(54353-24-1)相关文献