Name: NADPH tetracyclohexanamine
Rating: 5 (10 reviews)

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HIT ID:HIT212659466
Cas No:100929-71-3
常用名:NADPH tetracyclohexanamine
别名:还原型辅酶II四钠, NADPH (tetracyclohexanamine)
IUPAC:tetrakis(cyclohexanamine); {[(2R,3R,4R,5R)-2-(6-amino-9H-purin-9-yl)-5-[({[({[(2R,3S,4R,5R)-5-(3-carbamoyl-1,4-dihydropyridin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)methyl]-4-hydroxyoxolan-3-yl]oxy}phosphonic acid
IUPAC:tetrakis(cyclohexanamine); {[(2R,3R,4R,5R)-2-(6-amino-9H-purin-9-yl)-5-[({[({[(2R,3S,4R,5R)-5-(3-carbamoyl-1,4-dihydropyridin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)methyl]-4-hydroxyoxolan-3-yl]oxy}phosphonic acid
InChI key:PTKRUDMLGIIORX-ITGWJZMWSA-N

分子式:C45H82N11O17P3
分子量:1142.132
氢键供体数 (HBD):9
氢键受体数 (HBA):18
LogP:-6.4180613
SMILES:NC1CCCCC1.NC1CCCCC1.NC1CCCCC1.NC1CCCCC1.NC(=O)C1=CN(C=CC1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](OP(O)(O)=O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O |c:34,t:31|
SMILES:NC1CCCCC1.NC1CCCCC1.NC1CCCCC1.NC1CCCCC1.NC(=O)C1=CN(C=CC1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](OP(O)(O)=O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O |c:34,t:31|

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