A8P

8-n-octylamino-adenosine diphosphate hydroxypyrrolidinediol


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Chemical Component Summary

Name8-n-octylamino-adenosine diphosphate hydroxypyrrolidinediol
Identifiers[[(2R,3S,4R,5R)-5-[6-azanyl-8-(octylamino)purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2R,3R,4S)-3,4-bis(oxidanyl)pyrrolidin-1-ium-2-yl]methyl hydrogen phosphate
FormulaC23 H42 N7 O12 P2
Molecular Weight670.567
TypeNON-POLYMER
Isomeric SMILESCCCCCCCCNc1nc2c(ncnc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H](C[NH2+]4)O)O)O)O)N
InChIInChI=1S/C23H41N7O12P2/c1-2-3-4-5-6-7-8-25-23-29-16-20(24)27-12-28-21(16)30(23)22-19(34)18(33)15(41-22)11-40-44(37,38)42-43(35,36)39-10-13-17(32)14(31)9-26-13/h12-15,17-19,22,26,31-34H,2-11H2,1H3,(H,25,29)(H,35,36)(H,37,38)(H2,24,27,28)/p+1/t13-,14+,15-,17-,18-,19-,22-/m1/s1
InChIKeyHQJQCBXMIIQUTE-WBZRXDBSSA-O

Chemical Details

Formal Charge1
Atom Count86
Chiral Atom Count7
Bond Count89
Aromatic Bond Count10

Related Resource References

Resource NameReference
PubChem 137348908