32108-06-8 ((Folic acid)

CAS号:
32108-06-8
英文名称:
Folic acid
分子式:
C19H19N7O6
分子量:
441.397463083267

Folic acid(32108-06-8)名称与标识符

名称

英文别名:
Poly[imino[(1S)-1-carboxy-4-oxo-1,4-butanediyl]],a-[4-[[(2-amino-1,4-dihydro-4-oxo-6-pteridinyl)methyl]amino]benzoyl]-w-hydroxy-;Folate polyglutamate;Poly[imino(1-carboxy-4-oxo-1,4-butanediyl)],a-[4-[[(2-amino-1,4-dihydro-4-oxo-6-pteridinyl)methyl]amino]benzoyl]-w-hydroxy-, (S)-;Poly[iminocarbonyl(3-carboxytrimethylene)], a-(1,3-dicarboxypropyl)-w-[p-[[(2-amino-4-hydroxy-6-pteridinyl)methyl]amino]benzamido]-(8CI);Pteroyloligoglutamate;folic acid;Pteroylglutamic acid;Folate;Vitamin M;Folacin;PteGlu;Folacid;Folvite;Vitamin B9;Vitamin Bc;Pteroyl-L-glutamic acid;Acifolic;Folicet;Cytofol;Folsan;Incafolic;Foliamin;Folsaure;Millafol;Folipac;Folettes;Folsav;Folbal;Vitamin Be;Pteroyl-L-monoglutamic acid;Mittafol;Folan;Facid;Pteroylmonoglutamic acid;Vitamin B11;Antianemia factor;Factor U;Folina (Italy);Folico (Italy);Foldine [France];Pteroylmonoglutamate;Acfol (Spain);Foldine;Folcysteine;Folasic (Australia);Folcidin;Folaemin [N;

标识符

InChIKey:
OVBPIULPVIDEAO-LBPRGKRZSA-N
Inchi:
1S/C19H19N7O6/c20-19-25-15-14(17(30)26-19)23-11(8-22-15)7-21-10-3-1-9(2-4-10)16(29)24-12(18(31)32)5-6-13(27)28/h1-4,8,12,21H,5-7H2,(H,24,29)(H,27,28)(H,31,32)(H3,20,22,25,26,30)/t12-/m0/s1
SMILES:
OC([C@H](CCC(=O)O)NC(C1C=CC(=CC=1)NCC1C=NC2=C(C(NC(N)=N2)=O)N=1)=O)=O

Folic acid(32108-06-8)物化性质

计算特性

  • 氢键供体数量 : 6
  • 氢键受体数量 : 10
  • 可旋转化学键数量 : 9
  • 重原子数量 : 32
  • 复杂度 : 767
  • 拓扑分子极性表面积 : 209

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