5666-16-0 (核黄素5’-(磷酸二氢),1,5-二氢-,Riboflavin5'-(dihydrogen phosphate), 1,5-dihydro-)

CAS号:
5666-16-0
中文名称:
核黄素5’-(磷酸二氢),1,5-二氢-
英文名称:
Riboflavin5'-(dihydrogen phosphate), 1,5-dihydro-
分子式:
C17H23N4O9P
分子量:
458.359685182571

核黄素5’-(磷酸二氢),1,5-二氢-(5666-16-0)名称与标识符

名称

英文别名:
Riboflavin5'-(dihydrogen phosphate), 1,5-dihydro-;FMNH;1-Deoxy-1-(7,8-dimethyl-2,4-dioxo-1,3,4,5-tetrahydrobenzo[g]pteridin-10(2H)-yl)-5-O-phosphonopentitol;5-(7,8-Dimethyl-2,4-dioxo-1,3,4,5-tetrahydrobenzo[g]pteridin-10(2H)-yl)-2,3,4-trihydroxypentyl dihydrogen phosphate;5-(7,8-Dimethyl-2,4-dioxo-1,3,4,5-tetrahydrobenzo[g]pteridin-10(2H)-yl)-2,3,4-trihydroxypentyldihydrogen-phosphat;pentitol, 1-deoxy-1-(1,3,4,5-tetrahydro-7,8-dimethyl-2,4-dioxobenzo[g]pteridin-10(2H)-yl)-, 5-;CHEBI:16048;5666-16-0;1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO-3,4-DIHYDRO-2H-BENZO[G]PTERIDIN-1-ID-10(5H)-YL)-5-O-PHOSPHONATO-D-RIBITOL;FMNH2;1ag9;1c7e;{[(2R,3S,4S)-5-{7,8-dimethyl-2,4-dioxo-1H,2H,3H,4H,5H,10H-benzo[g]pteridin-10-yl}-2,3,4-trihydroxypentyl]oxy}phosphonic acid;C01847;1czo;1aku;1,5-Dihydroriboflavin 5'-(dihydrogen phosphate);1-deoxy-1-(7,8-dimethyl-2,4-dioxo-1,3,4,5-tetrahydrobenzo[g]pteridin-10(2H)-yl)-5-O-phosphono-D-ribitol;Q27098350;Reduced FMN;(2R,3S,4S)-5-(7,8-Dimethyl-2,4-dioxo-1,2,3,4-tetrahydrobenzo[g]pteridin-10(5H)-yl)-2,3,4-trihydroxypentyl dihydrogen phosphate;Q27122101;TWO ELECTRON REDUCED FLAVIN MONONUCLEOTIDE;[(2R,3S,4S)-5-(7,8-dimethyl-2,4-dioxo-1,5-dihydrobenzo[g]pteridin-10-yl)-2,3,4-trihydroxypentyl] dihydrogen phosphate;1akv;flavin mononucleotide hydroquinone;reduced flavin mononucleotide;Vitamin B2-phosphate;1d04;Riboflavin 5'-(dihydrogen phosphate), 1,5-dihydro-;FMNH(.);FMNH2(2-);reduced FMN(2-);1,5-dihydroriboflavin 5'-phosphate;FMNH2 dianion;reduced flavin mononucleotide dianion;FMNH(2);flavin mononucleotide (reduced);reduced FMN dianion;

标识符

InChIKey:
YTNIXZGTHTVJBW-SCRDCRAPSA-N
Inchi:
1S/C17H23N4O9P/c1-7-3-9-10(4-8(7)2)21(15-13(18-9)16(25)20-17(26)19-15)5-11(22)14(24)12(23)6-30-31(27,28)29/h3-4,11-12,14,18,22-24H,5-6H2,1-2H3,(H2,27,28,29)(H2,19,20,25,26)/t11-,12+,14-/m0/s1
SMILES:
P(=O)(O)(O)OC[C@H]([C@H]([C@H](CN1C2=C(C(NC(N2)=O)=O)NC2C=C(C)C(C)=CC1=2)O)O)O

核黄素5’-(磷酸二氢),1,5-二氢-(5666-16-0)物化性质

计算特性

  • 精确分子量 : 458.12026532g/mol
  • 氢键供体数量 : 8
  • 氢键受体数量 : 11
  • 可旋转化学键数量 : 7
  • 同位素质量 : 458.12026532g/mol
  • 重原子数量 : 31
  • 复杂度 : 803
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 3
  • 不确定原子立构中心数量 : 0
  • 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) : -2.3
  • 拓扑分子极性表面积 : 201Ų

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