CID 23637677

Scrambled rev antisense

Structural Information

Molecular Formula
C191H250N58O110P20S19
SMILES
CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=S)(O)OC3CC(OC3COP(=S)(O)OC4CC(OC4COP(=S)(O)OC5CC(OC5COP(=S)(O)OC6CC(OC6COP(=S)(O)OC7CC(OC7COP(=S)(O)OC8CC(OC8COP(=S)(O)OC9CC(OC9COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=O)(OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=O)(O)O)N1C=NC2=C1N=C(NC2=O)N)N1C=C(C(=O)NC1=O)C)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)N1C=NC2=C1N=C(NC2=O)N)S)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)N1C=C(C(=O)NC1=O)C)N1C=CC(=NC1=O)N)N1C=C(C(=O)NC1=O)C)N1C=CC(=NC1=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=CC(=NC1=O)N)N1C=C(C(=O)NC1=O)C)N1C=C(C(=O)NC1=O)C)N1C=CC(=NC1=O)N)N1C=C(C(=O)NC1=O)C)N1C=C(C(=O)NC1=O)C)N1C=CC(=NC1=O)N)O
InChI
InChI=1S/C191H250N58O110P20S19/c1-78-47-239(184(271)222-161(78)251)135-27-86(250)106(321-135)55-302-361(282,380)341-87-28-136(230-18-9-126(192)207-175(230)262)322-108(87)57-305-370(291,389)352-98-39-147(242-50-81(4)164(254)225-187(242)274)335-121(98)70-316-375(296,394)355-101-42-150(245-53-84(7)167(257)228-190(245)277)333-119(101)68-314-366(287,385)346-92-33-141(235-23-14-131(197)212-180(235)267)327-113(92)62-308-373(294,392)353-99-40-148(243-51-82(5)165(255)226-188(243)275)336-122(99)71-317-376(297,395)356-102-43-151(246-54-85(8)168(258)229-191(246)278)334-120(102)69-315-367(288,386)347-93-34-142(236-24-15-132(198)213-181(236)268)330-116(93)65-311-379(300,398)359-105-46-154(249-77-206-157-160(249)218-174(203)221-171(157)261)340-125(105)74-320-369(290,388)349-95-36-144(238-26-17-134(200)215-183(238)270)328-114(95)63-309-372(293,391)351-97-38-146(241-49-80(3)163(253)224-186(241)273)332-118(97)67-313-365(286,384)345-91-32-140(234-22-13-130(196)211-179(234)266)326-112(91)61-307-371(292,390)350-96-37-145(240-48-79(2)162(252)223-185(240)272)331-117(96)66-312-364(285,383)344-90-31-139(233-21-12-129(195)210-178(233)265)323-109(90)58-303-363(284,382)343-89-30-138(232-20-11-128(194)209-177(232)264)329-115(89)64-310-378(299,397)358-104-45-153(248-76-205-156-159(248)217-173(202)220-170(156)260)339-124(104)73-319-368(289,387)348-94-35-143(237-25-16-133(199)214-182(237)269)324-110(94)59-304-362(283,381)342-88-29-137(231-19-10-127(193)208-176(231)263)325-111(88)60-306-374(295,393)354-100-41-149(244-52-83(6)166(256)227-189(244)276)337-123(100)72-318-377(298,396)357-103-44-152(338-107(103)56-301-360(279,280)281)247-75-204-155-158(247)216-172(201)219-169(155)259/h9-26,47-54,75-77,86-125,135-154,250H,27-46,55-74H2,1-8H3,(H,282,380)(H,283,381)(H,284,382)(H,285,383)(H,286,384)(H,287,385)(H,288,386)(H,289,387)(H,290,388)(H,291,389)(H,292,390)(H,293,391)(H,294,392)(H,295,393)(H,296,394)(H,297,395)(H,298,396)(H,299,397)(H,300,398)(H2,192,207,262)(H2,193,208,263)(H2,194,209,264)(H2,195,210,265)(H2,196,211,266)(H2,197,212,267)(H2,198,213,268)(H2,199,214,269)(H2,200,215,270)(H,222,251,271)(H,223,252,272)(H,224,253,273)(H,225,254,274)(H,226,255,275)(H,227,256,276)(H,228,257,277)(H,229,258,278)(H2,279,280,281)(H3,201,216,219,259)(H3,202,217,220,260)(H3,203,218,221,261)
InChIKey
RYGVDAFALRZFCS-UHFFFAOYSA-N
Compound name
[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-[[3-[[3-[[3-[[3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[5-(4-amino-2-oxopyrimidin-1-yl)-3-[[3-[[3-[[5-(4-amino-2-oxopyrimidin-1-yl)-3-[[3-[[3-[[5-(4-amino-2-oxopyrimidin-1-yl)-3-[hydroxy-[[3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphinothioyl]oxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-sulfanylphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]methyl dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

6342.5195 Da
Monoisotopic Mass

-9.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 6343.5268 311.5
[M+Na]+ 6365.5087 311.5
[M-H]- 6341.5122 311.5
[M+NH4]+ 6360.5533 311.5
[M+K]+ 6381.4827 311.5
[M+H-H2O]+ 6325.5168 311.5
[M+HCOO]- 6387.5177 311.5
[M+CH3COO]- 6401.5334 311.5
[M+Na-2H]- 6363.4942 311.5
[M]+ 6342.5190 311.5
[M]- 6342.5200 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.