CID 16130772

G g c t c t c c c g g g a g g g g g g g (2'-o-methyl)

Structural Information

Molecular Formula
C215H284N84O142P20
SMILES
CC1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)OC3C(OC(C3OC)N4C=CC(=NC4=O)N)COP(=O)(O)OC5C(OC(C5OC)N6C=C(C(=O)NC6=O)C)COP(=O)(O)OC7C(OC(C7OC)N8C=CC(=NC8=O)N)COP(=O)(O)OC9C(OC(C9OC)N1C=NC2=C1N=C(NC2=O)N)COP(=O)(O)OC1C(OC(C1OC)N1C=NC2=C1N=C(NC2=O)N)COP(=O)(O)O)OP(=O)(O)OCC1C(C(C(O1)N1C=CC(=NC1=O)N)OC)OP(=O)(O)OCC1C(C(C(O1)N1C=CC(=NC1=O)N)OC)OP(=O)(O)OCC1C(C(C(O1)N1C=CC(=NC1=O)N)OC)OP(=O)(O)OCC1C(C(C(O1)N1C=NC2=C1N=C(NC2=O)N)OC)OP(=O)(O)OCC1C(C(C(O1)N1C=NC2=C1N=C(NC2=O)N)OC)OP(=O)(O)OCC1C(C(C(O1)N1C=NC2=C1N=C(NC2=O)N)OC)OP(=O)(O)OCC1C(C(C(O1)N1C=NC2=C(N=CN=C21)N)OC)OP(=O)(O)OCC1C(C(C(O1)N1C=NC2=C1N=C(NC2=O)N)OC)OP(=O)(O)OCC1C(C(C(O1)N1C=NC2=C1N=C(NC2=O)N)OC)OP(=O)(O)OCC1C(C(C(O1)N1C=NC2=C1N=C(NC2=O)N)OC)OP(=O)(O)OCC1C(C(C(O1)N1C=NC2=C1N=C(NC2=O)N)OC)OP(=O)(O)OCC1C(C(C(O1)N1C=NC2=C1N=C(NC2=O)N)OC)OP(=O)(O)OCC1C(C(C(O1)N1C=NC2=C1N=C(NC2=O)N)OC)OP(=O)(O)OCC1C(C(C(O1)N1C=NC2=C1N=C(NC2=O)N)OC)O)OC
InChI
InChI=1S/C215H284N84O142P20/c1-69-33-285(214(320)278-163(69)301)183-135(369-9)116(78(409-183)42-390-447(333,334)426-113-76(407-180(132(113)366-6)282-30-25-93(218)251-211(282)317)40-388-451(341,342)430-117-79(410-184(136(117)370-10)286-34-70(2)164(302)279-215(286)321)43-391-448(335,336)427-114-77(408-181(133(114)367-7)283-31-26-94(219)252-212(283)318)41-389-452(343,344)433-120-82(414-188(140(120)374-14)291-60-240-100-154(291)257-200(225)269-168(100)306)46-393-444(327,328)423-110-72(36-383-442(322,323)324)411-186(138(110)372-12)289-58-238-98-152(289)255-198(223)267-166(98)304)429-450(339,340)387-39-75-112(131(365-5)179(406-75)281-29-24-92(217)250-210(281)316)425-446(331,332)385-37-73-111(130(364-4)178(404-73)280-28-23-91(216)249-209(280)315)424-445(329,330)386-38-74-115(134(368-8)182(405-74)284-32-27-95(220)253-213(284)319)428-449(337,338)394-47-83-121(141(375-15)189(415-83)292-61-241-101-155(292)258-201(226)270-169(101)307)435-456(351,352)398-51-87-125(145(379-19)193(419-87)296-65-245-105-159(296)262-205(230)274-173(105)311)438-458(355,356)397-49-85-122(142(376-16)190(417-85)293-62-242-102-156(293)259-202(227)271-170(102)308)434-454(347,348)392-44-80-118(137(371-11)185(412-80)287-56-236-96-149(221)234-55-235-150(96)287)432-453(345,346)395-48-84-123(143(377-17)191(416-84)294-63-243-103-157(294)260-203(228)272-171(103)309)437-457(353,354)399-52-88-126(146(380-20)194(420-88)297-66-246-106-160(297)263-206(231)275-174(106)312)440-460(359,360)401-54-90-128(148(382-22)196(422-90)299-68-248-108-162(299)265-208(233)277-176(108)314)441-461(361,362)402-53-89-127(147(381-21)195(421-89)298-67-247-107-161(298)264-207(232)276-175(107)313)439-459(357,358)400-50-86-124(144(378-18)192(418-86)295-64-244-104-158(295)261-204(229)273-172(104)310)436-455(349,350)396-45-81-119(139(373-13)187(413-81)290-59-239-99-153(290)256-199(224)268-167(99)305)431-443(325,326)384-35-71-109(300)129(363-3)177(403-71)288-57-237-97-151(288)254-197(222)266-165(97)303/h23-34,55-68,71-90,109-148,177-196,300H,35-54H2,1-22H3,(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)(H,353,354)(H,355,356)(H,357,358)(H,359,360)(H,361,362)(H2,216,249,315)(H2,217,250,316)(H2,218,251,317)(H2,219,252,318)(H2,220,253,319)(H2,221,234,235)(H,278,301,320)(H,279,302,321)(H2,322,323,324)(H3,222,254,266,303)(H3,223,255,267,304)(H3,224,256,268,305)(H3,225,257,269,306)(H3,226,258,270,307)(H3,227,259,271,308)(H3,228,260,272,309)(H3,229,261,273,310)(H3,230,262,274,311)(H3,231,263,275,312)(H3,232,264,276,313)(H3,233,265,277,314)
InChIKey
NESNZLPGCOPILZ-UHFFFAOYSA-N
Compound name
[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[3-[[3-[[3-[[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-[[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-[[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-hydroxy-4-methoxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-methoxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-methoxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-methoxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-methoxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-methoxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-methoxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(6-aminopurin-9-yl)-4-methoxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-methoxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-methoxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-methoxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)-4-methoxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)-4-methoxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)-4-methoxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-methoxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)-4-methoxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-methoxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)-4-methoxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-methoxyoxolan-2-yl]methyl [5-(2-amino-6-oxo-1H-purin-9-yl)-4-methoxy-2-(phosphonooxymethyl)oxolan-3-yl] hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

6933.2334 Da
Monoisotopic Mass

-55.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 6934.2407 311.5
[M+Na]+ 6956.2226 311.5
[M-H]- 6932.2261 311.5
[M+NH4]+ 6951.2672 311.5
[M+K]+ 6972.1966 311.5
[M+H-H2O]+ 6916.2307 311.5
[M+HCOO]- 6978.2316 311.5
[M+CH3COO]- 6992.2473 311.5
[M+Na-2H]- 6954.2081 311.5
[M]+ 6933.2329 311.5
[M]- 6933.2339 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.