Schembl29573131

Structural Information

Molecular Formula

C₁₅₀H₁₈₇N₅₇O₉₆P₁₅

SMILES

CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)OC3CC(OC3COP(=O)(O)OC4CC(OC4COP(=O)(O)OC5CC(OC5COP(=O)(O)OC6CC(OC6COP(=O)(O)OC7CC(OC7COP(=O)(O)OC8CC(OC8COP(=O)(O)OC9CC(OC9COP(=O)(O)OC1CC(OC1COP(=O)(O)OC1CC(OC1COP(=O)(O)OC1CC(OC1COP(=O)(O)OC1CC(OC1COP(=O)(O)OC1CC(OC1CO[P+](=O)O)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=C(C(=O)NC1=O)C)N1C=C(C(=O)NC1=O)C)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=C(C(=O)NC1=O)C)N1C=NC2=C1N=C(NC2=O)N)N1C=C(C(=O)NC1=O)C)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=C(C(=O)NC1=O)C)OP(=O)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)O

InChI

InChI=1S/C150H186N57O96P15/c1-52-22-193(145(224)187-121(52)209)89-8-60(77(279-89)32-264-313(248,249)298-67-16-97(202-46-163-106-115(202)172-139(154)181-130(106)218)284-82(67)36-268-306(234,235)290-59-14-95(276-74(59)28-260-304(230)231)200-44-161-104-113(200)170-137(152)179-128(104)216)291-308(238,239)263-31-76-63(11-92(278-76)196-25-55(4)124(212)190-148(196)227)294-310(242,243)271-39-84-71(20-101(286-84)206-50-167-110-119(206)176-143(158)185-134(110)222)302-317(256,257)274-42-87-70(19-100(289-87)205-49-166-109-118(205)175-142(157)184-133(109)221)301-316(254,255)267-35-80-64(12-93(282-80)197-26-56(5)125(213)191-149(197)228)295-311(244,245)270-38-83-68(17-98(285-83)203-47-164-107-116(203)173-140(155)182-131(107)219)299-314(250,251)266-34-79-65(13-94(281-79)198-27-57(6)126(214)192-150(198)229)296-312(246,247)272-40-85-72(21-102(287-85)207-51-168-111-120(207)177-144(159)186-135(111)223)303-318(258,259)273-41-86-69(18-99(288-86)204-48-165-108-117(204)174-141(156)183-132(108)220)300-315(252,253)265-33-78-61(9-90(280-78)194-23-53(2)122(210)188-146(194)225)292-307(236,237)262-30-75-62(10-91(277-75)195-24-54(3)123(211)189-147(195)226)293-309(240,241)269-37-81-66(15-96(283-81)201-45-162-105-114(201)171-138(153)180-129(105)217)297-305(232,233)261-29-73-58(208)7-88(275-73)199-43-160-103-112(199)169-136(151)178-127(103)215/h22-27,43-51,58-102,208H,7-21,28-42H2,1-6H3,(H47-,151,152,153,154,155,156,157,158,159,169,170,171,172,173,174,175,176,177,178,179,180,181,182,183,184,185,186,187,188,189,190,191,192,209,210,211,212,213,214,215,216,217,218,219,220,221,222,223,224,225,226,227,228,229,230,231,232,233,234,235,236,237,238,239,240,241,242,243,244,245,246,247,248,249,250,251,252,253,254,255,256,257,258,259)/p+1

InChIKey

QFQAYMNIPJTXTQ-UHFFFAOYSA-O

Compound name

[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[3-[[3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[3-[[3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxy-oxophosphanium

Related CIDs

• CID 16130287