(2R,3S,4R,5R,6R)-2-(aminomethyl)-5-azanyl-6-[4,6-bis(azanyl)-3-oxidanyl-2-[6-(7H-purin-6-ylamino)hexoxy]cyclohexyl]oxy-3-[6-(7H-purin-6-ylamino)hexoxy]oxan-4-ol

Systemtic Name: (2R,3S,4R,5R,6R)-2-(aminomethyl)-5-azanyl-6-[4,6-bis(azanyl)-3-oxidanyl-2-[6-(7H-purin-6-ylamino)hexoxy]cyclohexyl]oxy-3-[6-(7H-purin-6-ylamino)hexoxy]oxan-4-ol Openeye Name: (2R,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-[4,6-diamino-3-hydroxy-2-[6-(7H-purin-6-ylamino)hexoxy]cyclohexoxy]-3-[6-(7H-purin-6-ylamino)hexoxy]tetrahydropyran-4-ol CAS Name: (2R,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-[4,6-diamino-3-hydroxy-2-[6-(7H-purin-6-ylamino)hexoxy]cyclohexyl]oxy-3-[6-(7H-purin-6-ylamino)hexoxy]-4-oxanol IUPAC Name: (2R,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-[4,6-diamino-3-hydroxy-2-[6-(7H-purin-6-ylamino)hexoxy]cyclohexyl]oxy-3-[6-(7H-purin-6-ylamino)hexoxy]oxan-4-ol Traditional Name: (2R,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-[4,6-diamino-3-hydroxy-2-[6-(7H-purin-6-ylamino)hexoxy]cyclohexoxy]-3-[6-(7H-purin-6-ylamino)hexoxy]tetrahydropyran-4-ol Formula: C34H56N14O6 MolecularWeight: 756.89864

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(C(C1N)OC2C(C(C(C(O2)CN)OCCCCCCNC3=NC=NC4=C3NC=N4)O)N)OCCCCCCNC5=NC=NC6=C5NC=N6)O)N

Isomeric SMILES

C1C(C(C(C(C1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CN)OCCCCCCNC3=NC=NC4=C3NC=N4)O)N)OCCCCCCNC5=NC=NC6=C5NC=N6)O)N

InChI

InChI=1S/C34H56N14O6/c35-14-21-28(51-11-7-3-1-5-9-39-30-23-32(43-15-41-23)47-17-45-30)26(50)22(38)34(53-21)54-27-20(37)13-19(36)25(49)29(27)52-12-8-4-2-6-10-40-31-24-33(44-16-42-24)48-18-46-31/h15-22,25-29,34,49-50H,1-14,35-38H2,(H2,39,41,43,45,47)(H2,40,42,44,46,48)/t19?,20?,21-,22-,25?,26-,27?,28-,29?,34-/m1/s1