CID 16197354

Ttc act ctc att gcc act gt

Structural Information

Molecular Formula
C193H250N62O126P20
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)OC1CC(OC1COP(=O)(O)OC1CC(OC1COP(=O)(O)OC1CC(OC1COP(=O)(O)O)N1C=C(C(=O)NC1=O)C)N1C=C(C(=O)NC1=O)C)N1C=CC(=NC1=O)N)N1C=NC2=C(N=CN=C21)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=C(N=CN=C21)N)N1C=C(C(=O)NC1=O)C)N1C=C(C(=O)NC1=O)C)N1C=NC2=C1N=C(NC2=O)N)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)N1C=NC2=C(N=CN=C21)N)N1C=CC(=NC1=O)N)N1C=C(C(=O)NC1=O)C)N1C=NC2=C1N=C(NC2=O)N)O
InChI
InChI=1S/C193H250N62O126P20/c1-79-43-243(186(274)228-167(79)257)134-23-87(256)107(343-134)51-324-383(285,286)377-105-41-152(254-77-215-157-165(254)224-177(204)226-175(157)265)361-125(105)69-341-396(311,312)375-100-36-147(249-49-85(7)173(263)234-192(249)280)354-118(100)62-334-387(293,294)366-91-27-138(239-19-12-130(197)220-182(239)270)349-114(91)58-330-398(315,316)378-102-38-149(251-74-212-154-159(201)206-71-209-162(154)251)358-122(102)66-338-388(295,296)367-92-28-139(240-20-13-131(198)221-183(240)271)344-109(92)53-325-384(287,288)363-88-24-135(236-16-9-127(194)217-179(236)267)350-115(88)59-331-400(319,320)381-106-42-153(255-78-216-158-166(255)225-178(205)227-176(158)266)362-126(106)70-342-397(313,314)376-101-37-148(250-50-86(8)174(264)235-193(250)281)356-120(101)64-336-395(309,310)374-99-35-146(248-48-84(6)172(262)233-191(248)279)357-121(99)65-337-401(321,322)380-104-40-151(253-76-214-156-161(203)208-73-211-164(156)253)360-124(104)68-340-390(299,300)369-94-30-141(242-22-15-133(200)223-185(242)273)346-111(94)55-327-393(305,306)372-97-33-144(246-46-82(4)170(260)231-189(246)277)352-116(97)60-332-385(289,290)364-89-25-136(237-17-10-128(195)218-180(237)268)345-110(89)54-326-392(303,304)371-96-32-143(245-45-81(3)169(259)230-188(245)276)353-117(96)61-333-386(291,292)365-90-26-137(238-18-11-129(196)219-181(238)269)348-113(90)57-329-399(317,318)379-103-39-150(252-75-213-155-160(202)207-72-210-163(155)252)359-123(103)67-339-389(297,298)368-93-29-140(241-21-14-132(199)222-184(241)272)347-112(93)56-328-394(307,308)373-98-34-145(247-47-83(5)171(261)232-190(247)278)355-119(98)63-335-391(301,302)370-95-31-142(351-108(95)52-323-382(282,283)284)244-44-80(2)168(258)229-187(244)275/h9-22,43-50,71-78,87-126,134-153,256H,23-42,51-70H2,1-8H3,(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)(H2,194,217,267)(H2,195,218,268)(H2,196,219,269)(H2,197,220,270)(H2,198,221,271)(H2,199,222,272)(H2,200,223,273)(H2,201,206,209)(H2,202,207,210)(H2,203,208,211)(H,228,257,274)(H,229,258,275)(H,230,259,276)(H,231,260,277)(H,232,261,278)(H,233,262,279)(H,234,263,280)(H,235,264,281)(H2,282,283,284)(H3,204,224,226,265)(H3,205,225,227,266)
InChIKey
JPRSOHMBCOWQTL-UHFFFAOYSA-N
Compound name
[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[2-[[[2-[[[2-[[[2-[[[2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[2-[[[2-[[[2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[hydroxy-[2-[[hydroxy-[5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2-(phosphonooxymethyl)oxolan-3-yl]oxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl] [3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

6070.9814 Da
Monoisotopic Mass

-39.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 6071.9887 311.5
[M+Na]+ 6093.9706 311.5
[M-H]- 6069.9741 311.5
[M+NH4]+ 6089.0152 311.5
[M+K]+ 6109.9446 311.5
[M+H-H2O]+ 6053.9787 311.5
[M+HCOO]- 6115.9796 311.5
[M+CH3COO]- 6129.9953 311.5
[M+Na-2H]- 6091.9561 311.5
[M]+ 6070.9809 311.5
[M]- 6070.9819 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.