CID 16186435

Ggggacaggggcggggtggg

Structural Information

Molecular Formula
C198H243N93O120P20
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(OC1COP(=O)(O)OC1CC(OC1COP(=O)(O)OC1CC(OC1COP(=O)(O)OC1CC(OC1COP(=O)(O)OC1CC(OC1COP(=O)(O)O)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C(N=CN=C21)N)N1C=CC(=NC1=O)N)N1C=NC2=C(N=CN=C21)N)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=CC(=NC1=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)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)OP(=O)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)O
InChI
InChI=1S/C198H243N93O120P20/c1-66-26-274(198(311)271-165(66)293)112-9-70(395-416(321,322)361-36-96-78(17-120(382-96)283-57-230-137-156(283)247-187(209)262-172(137)300)404-423(335,336)364-34-94-74(13-116(380-94)279-53-226-133-152(279)243-183(205)258-168(133)296)397-413(315,316)354-27-87-67(292)6-109(373-87)277-51-224-131-150(277)241-181(203)256-166(131)294)91(376-112)31-357-420(329,330)401-76-15-118(281-55-228-135-154(281)245-185(207)260-170(135)298)386-100(76)40-366-427(343,344)408-83-22-125(288-62-235-142-161(288)252-192(214)267-177(142)305)392-106(83)46-372-430(349,350)410-84-23-126(289-63-236-143-162(289)253-193(215)268-178(143)306)388-102(84)42-368-424(337,338)403-77-16-119(282-56-229-136-155(282)246-186(208)261-171(136)299)381-95(77)35-360-415(319,320)394-69-8-111(273-5-3-108(200)240-197(273)310)375-90(69)30-356-419(327,328)400-75-14-117(280-54-227-134-153(280)244-184(206)259-169(134)297)385-99(75)39-365-426(341,342)407-82-21-124(287-61-234-141-160(287)251-191(213)266-176(141)304)391-105(82)45-371-431(351,352)411-86-25-128(291-65-238-145-164(291)255-195(217)270-180(145)308)390-104(86)44-370-428(345,346)406-81-20-123(286-60-233-140-159(286)250-190(212)265-175(140)303)384-98(81)38-363-421(331,332)399-73-11-114(276-50-223-130-147(202)219-48-221-149(130)276)378-92(73)32-358-414(317,318)393-68-7-110(272-4-2-107(199)239-196(272)309)374-89(68)29-355-418(325,326)398-72-10-113(275-49-222-129-146(201)218-47-220-148(129)275)379-93(72)33-359-422(333,334)402-80-19-122(285-59-232-139-158(285)249-189(211)264-174(139)302)387-101(80)41-367-429(347,348)409-85-24-127(290-64-237-144-163(290)254-194(216)269-179(144)307)389-103(85)43-369-425(339,340)405-79-18-121(284-58-231-138-157(284)248-188(210)263-173(138)301)383-97(79)37-362-417(323,324)396-71-12-115(377-88(71)28-353-412(312,313)314)278-52-225-132-151(278)242-182(204)257-167(132)295/h2-5,26,47-65,67-106,109-128,292H,6-25,27-46H2,1H3,(H,315,316)(H,317,318)(H,319,320)(H,321,322)(H,323,324)(H,325,326)(H,327,328)(H,329,330)(H,331,332)(H,333,334)(H,335,336)(H,337,338)(H,339,340)(H,341,342)(H,343,344)(H,345,346)(H,347,348)(H,349,350)(H,351,352)(H2,199,239,309)(H2,200,240,310)(H2,201,218,220)(H2,202,219,221)(H,271,293,311)(H2,312,313,314)(H3,203,241,256,294)(H3,204,242,257,295)(H3,205,243,258,296)(H3,206,244,259,297)(H3,207,245,260,298)(H3,208,246,261,299)(H3,209,247,262,300)(H3,210,248,263,301)(H3,211,249,264,302)(H3,212,250,265,303)(H3,213,251,266,304)(H3,214,252,267,305)(H3,215,253,268,306)(H3,216,254,269,307)(H3,217,255,270,308)
InChIKey
JOIYUVDWEYERTG-UHFFFAOYSA-N
Compound name
[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[3-[[3-[[3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-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-[[5-(2-amino-6-oxo-1H-purin-9-yl)-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-[[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]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]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methyl [5-(2-amino-6-oxo-1H-purin-9-yl)-2-(phosphonooxymethyl)oxolan-3-yl] hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

6462.0522 Da
Monoisotopic Mass

-46.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 6463.0595 311.5
[M+Na]+ 6485.0414 311.5
[M-H]- 6461.0449 311.5
[M+NH4]+ 6480.0860 311.5
[M+K]+ 6501.0154 311.5
[M+H-H2O]+ 6445.0495 311.5
[M+HCOO]- 6507.0504 311.5
[M+CH3COO]- 6521.0661 311.5
[M+Na-2H]- 6483.0269 311.5
[M]+ 6462.0517 311.5
[M]- 6462.0527 311.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.