CID 16131572

5'-dgcacggtctgctgcggcggg-3'

Structural Information

Molecular Formula
C194H245N79O123P20
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)O)N1C=NC2=C1N=C(NC2=O)N)N1C=CC(=NC1=O)N)N1C=NC2=C(N=CN=C21)N)N1C=CC(=NC1=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=C(C(=O)NC1=O)C)N1C=CC(=NC1=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=O)(O)OCC1C(CC(O1)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=CC(=NC1=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=CC(=NC1=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/C194H245N79O123P20/c1-71-36-260(192(294)251-163(71)275)127-23-81(104(367-127)49-348-413(330,331)393-90-32-136(270-67-221-147-159(270)237-182(208)247-172(147)284)377-113(90)58-357-416(336,337)396-93-35-139(273-70-224-150-162(273)240-185(211)250-175(150)287)372-108(93)53-350-402(308,309)381-78-20-124(257-13-7-117(198)228-189(257)291)361-98(78)43-342-409(322,323)389-85-26-130(263-60-214-140-151(201)212-59-213-152(140)263)369-105(85)50-349-401(306,307)380-77-19-123(256-12-6-116(197)227-188(256)290)360-97(77)42-341-408(320,321)387-84-27-131(368-95(84)40-338-397(297,298)299)265-62-216-142-154(265)232-177(203)242-167(142)279)384-405(314,315)340-41-96-75(17-121(359-96)254-10-4-114(195)225-186(254)288)378-399(302,303)346-47-102-82(24-128(365-102)261-37-72(2)164(276)252-193(261)295)385-406(316,317)353-55-110-87(29-133(374-110)267-64-218-144-156(267)234-179(205)244-169(144)281)390-410(324,325)343-44-99-76(18-122(362-99)255-11-5-115(196)226-187(255)289)379-400(304,305)347-48-103-83(25-129(366-103)262-38-73(3)165(277)253-194(262)296)386-407(318,319)354-56-111-88(30-134(375-111)268-65-219-145-157(268)235-180(206)245-170(145)282)391-411(326,327)344-45-100-79(21-125(363-100)258-14-8-118(199)229-190(258)292)382-404(312,313)352-54-109-92(34-138(373-109)272-69-223-149-161(272)239-184(210)249-174(149)286)395-415(334,335)356-57-112-89(31-135(376-112)269-66-220-146-158(269)236-181(207)246-171(146)283)392-412(328,329)345-46-101-80(22-126(364-101)259-15-9-119(200)230-191(259)293)383-403(310,311)351-52-107-91(33-137(371-107)271-68-222-148-160(271)238-183(209)248-173(148)285)394-414(332,333)355-51-106-86(28-132(370-106)266-63-217-143-155(266)233-178(204)243-168(143)280)388-398(300,301)339-39-94-74(274)16-120(358-94)264-61-215-141-153(264)231-176(202)241-166(141)278/h4-15,36-38,59-70,74-113,120-139,274H,16-35,39-58H2,1-3H3,(H,300,301)(H,302,303)(H,304,305)(H,306,307)(H,308,309)(H,310,311)(H,312,313)(H,314,315)(H,316,317)(H,318,319)(H,320,321)(H,322,323)(H,324,325)(H,326,327)(H,328,329)(H,330,331)(H,332,333)(H,334,335)(H,336,337)(H2,195,225,288)(H2,196,226,289)(H2,197,227,290)(H2,198,228,291)(H2,199,229,292)(H2,200,230,293)(H2,201,212,213)(H,251,275,294)(H,252,276,295)(H,253,277,296)(H2,297,298,299)(H3,202,231,241,278)(H3,203,232,242,279)(H3,204,233,243,280)(H3,205,234,244,281)(H3,206,235,245,282)(H3,207,236,246,283)(H3,208,237,247,284)(H3,209,238,248,285)(H3,210,239,249,286)(H3,211,240,250,287)
InChIKey
GWUHENKKFIXFFX-UHFFFAOYSA-N
Compound name
[3-[[3-[[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-[[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-[[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-(4-amino-2-oxopyrimidin-1-yl)oxolan-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]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(4-amino-2-oxopyrimidin-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]oxy-5-(4-amino-2-oxopyrimidin-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-(4-amino-2-oxopyrimidin-1-yl)oxolan-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]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

6268.01 Da
Monoisotopic Mass

-45.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 6269.0173 311.5
[M+Na]+ 6290.9992 311.5
[M-H]- 6267.0027 311.5
[M+NH4]+ 6286.0438 311.5
[M+K]+ 6306.9732 311.5
[M+H-H2O]+ 6251.0073 311.5
[M+HCOO]- 6313.0082 311.5
[M+CH3COO]- 6327.0239 311.5
[M+Na-2H]- 6288.9847 311.5
[M]+ 6268.0095 311.5
[M]- 6268.0105 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.