CID 16197346

Gcc cct tca cct ttc cag ag

Structural Information

Molecular Formula
C191H247N67O123P20
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)O)N8C=NC9=C8N=C(NC9=O)N)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)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=CC(=NC1=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=NC2=C(N=CN=C21)N)OP(=O)(O)OCC1C(CC(O1)N1C=CC(=NC1=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=C(C(=O)NC1=O)C)OP(=O)(O)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)OP(=O)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=NC2=C(N=CN=C21)N)OP(=O)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=NC2=C(N=CN=C21)N)OP(=O)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)O
InChI
InChI=1S/C191H247N67O123P20/c1-78-44-248(187(277)234-167(78)260)142-34-93(372-393(305,306)330-56-110-86(27-135(349-110)241-17-8-125(194)221-180(241)270)365-386(291,292)329-55-109-91(32-140(348-109)246-22-13-130(199)226-185(246)275)370-391(301,302)340-67-121-101(41-149(361-121)255-74-215-154-160(203)209-71-212-163(154)255)380-400(319,320)342-68-122-102(43-151(362-122)258-77-218-157-166(258)230-177(206)233-174(157)267)381-401(321,322)341-65-119-99(39-147(359-119)253-72-213-152-158(201)207-69-210-161(152)253)378-383(285,286)324-49-103-83(259)24-132(343-103)256-75-216-155-164(256)228-175(204)231-172(155)265)117(356-142)63-337-397(313,314)376-97-38-146(252-48-82(5)171(264)238-191(252)281)357-118(97)64-338-396(311,312)375-96-37-145(251-47-81(4)170(263)237-190(251)280)354-115(96)61-335-390(299,300)369-90-31-139(245-21-12-129(198)225-184(245)274)347-108(90)54-328-388(295,296)367-88-29-137(243-19-10-127(196)223-182(243)272)352-113(88)59-333-399(317,318)379-100-40-148(254-73-214-153-159(202)208-70-211-162(153)254)360-120(100)66-339-392(303,304)371-92-33-141(247-23-14-131(200)227-186(247)276)350-111(92)57-331-394(307,308)373-94-35-143(249-45-79(2)168(261)235-188(249)278)355-116(94)62-336-395(309,310)374-95-36-144(250-46-80(3)169(262)236-189(250)279)353-114(95)60-334-389(297,298)368-89-30-138(244-20-11-128(197)224-183(244)273)346-107(89)53-327-385(289,290)364-85-26-134(240-16-7-124(193)220-179(240)269)344-105(85)51-325-384(287,288)363-84-25-133(239-15-6-123(192)219-178(239)268)345-106(84)52-326-387(293,294)366-87-28-136(242-18-9-126(195)222-181(242)271)351-112(87)58-332-398(315,316)377-98-42-150(358-104(98)50-323-382(282,283)284)257-76-217-156-165(257)229-176(205)232-173(156)266/h6-23,44-48,69-77,83-122,132-151,259H,24-43,49-68H2,1-5H3,(H,285,286)(H,287,288)(H,289,290)(H,291,292)(H,293,294)(H,295,296)(H,297,298)(H,299,300)(H,301,302)(H,303,304)(H,305,306)(H,307,308)(H,309,310)(H,311,312)(H,313,314)(H,315,316)(H,317,318)(H,319,320)(H,321,322)(H2,192,219,268)(H2,193,220,269)(H2,194,221,270)(H2,195,222,271)(H2,196,223,272)(H2,197,224,273)(H2,198,225,274)(H2,199,226,275)(H2,200,227,276)(H2,201,207,210)(H2,202,208,211)(H2,203,209,212)(H,234,260,277)(H,235,261,278)(H,236,262,279)(H,237,263,280)(H,238,264,281)(H2,282,283,284)(H3,204,228,231,265)(H3,205,229,232,266)(H3,206,230,233,267)
InChIKey
DMPGEBBUUZBQAV-UHFFFAOYSA-N
Compound name
[3-[[3-[[3-[[3-[[3-[[3-[[3-[[3-[[3-[[3-[[3-[[3-[[3-[[3-[[3-[[3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(6-aminopurin-9-yl)oxolan-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-(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]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]oxy-5-(4-amino-2-oxopyrimidin-1-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]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]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-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(4-amino-2-oxopyrimidin-1-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

0
References

0
Patents

6065.9883 Da
Monoisotopic Mass

-41.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 6066.9956 311.5
[M+Na]+ 6088.9775 311.5
[M-H]- 6064.9810 311.5
[M+NH4]+ 6084.0221 311.5
[M+K]+ 6104.9515 311.5
[M+H-H2O]+ 6048.9856 311.5
[M+HCOO]- 6110.9865 311.5
[M+CH3COO]- 6125.0022 311.5
[M+Na-2H]- 6086.9630 311.5
[M]+ 6065.9878 311.5
[M]- 6065.9888 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.