CID 16197367

Cgtactcaccagtcg

Structural Information

Molecular Formula
C207H270N78O115P20
SMILES
CCCCCCCCCCOP(=O)(O)OCC1C(CC(O1)N2C=CC(=NC2=O)N)OP(=O)(O)OCC3C(CC(O3)N4C=NC5=C(N=CN=C54)N)OP(=O)(O)OCC6C(CC(O6)N7C=CC(=NC7=O)N)OP(=O)(O)OCC8C(CC(O8)N9C=CC(=NC9=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=C(N=CN=C21)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=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=NC2=C(N=CN=C21)N)OP(=O)(O)OCC1C(CC(O1)N1C=NC2=C(N=CN=C21)N)OP(=O)(O)OCC1C(CC(O1)N1C=NC2=C(N=CN=C21)N)OP(=O)(O)OCC1C(CC(O1)N1C=NC2=C(N=CN=C21)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)(C)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)OP(=O)(C)OCC1C(CC(O1)N1C=NC2=C(N=CN=C21)N)O
InChI
InChI=1S/C207H270N78O115P20/c1-8-9-10-11-12-13-14-15-26-341-403(305,306)344-53-117-97(30-140(363-117)266-21-16-134(208)251-199(266)294)384-408(315,316)354-63-126-106(39-149(374-126)276-80-241-160-171(214)225-72-233-179(160)276)393-413(325,326)349-58-121-99(32-142(367-121)268-23-18-136(210)253-201(268)296)386-406(311,312)346-55-118-98(31-141(364-118)267-22-17-135(209)252-200(267)295)385-405(309,310)347-56-119-101(34-144(365-119)270-25-20-138(212)255-203(270)298)388-409(317,318)355-64-127-109(42-152(375-127)279-83-244-163-174(217)228-75-236-182(163)279)396-416(331,332)356-65-128-108(41-151(376-128)278-82-243-162-173(216)227-74-235-181(162)278)395-415(329,330)353-62-125-104(37-147(371-125)273-49-92(4)191(289)264-206(273)301)391-411(321,322)351-60-123-103(36-146(369-123)272-48-91(3)190(288)263-205(272)300)390-410(319,320)348-57-120-100(33-143(366-120)269-24-19-137(211)254-202(269)297)387-407(313,314)350-59-122-105(38-148(368-122)274-50-93(5)192(290)265-207(274)302)392-412(323,324)361-70-133-113(46-158(381-133)285-89-250-169-188(285)258-198(223)261-195(169)293)400-420(339,340)360-69-132-112(45-155(380-132)282-86-247-166-177(220)231-78-239-185(166)282)399-419(337,338)359-68-131-111(44-154(379-131)281-85-246-165-176(219)230-77-238-184(165)281)398-418(335,336)358-67-130-110(43-153(378-130)280-84-245-164-175(218)229-76-237-183(164)280)397-417(333,334)357-66-129-107(40-150(377-129)277-81-242-161-172(215)226-73-234-180(161)277)394-414(327,328)352-61-124-102(35-145(370-124)271-47-90(2)189(287)262-204(271)299)389-404(307,308)345-54-116-96(29-157(373-116)284-88-249-168-187(284)257-197(222)260-194(168)292)383-402(7,304)343-52-115-95(28-156(372-115)283-87-248-167-186(283)256-196(221)259-193(167)291)382-401(6,303)342-51-114-94(286)27-139(362-114)275-79-240-159-170(213)224-71-232-178(159)275/h16-25,47-50,71-89,94-133,139-158,286H,8-15,26-46,51-70H2,1-7H3,(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)(H,323,324)(H,325,326)(H,327,328)(H,329,330)(H,331,332)(H,333,334)(H,335,336)(H,337,338)(H,339,340)(H2,208,251,294)(H2,209,252,295)(H2,210,253,296)(H2,211,254,297)(H2,212,255,298)(H2,213,224,232)(H2,214,225,233)(H2,215,226,234)(H2,216,227,235)(H2,217,228,236)(H2,218,229,237)(H2,219,230,238)(H2,220,231,239)(H,262,287,299)(H,263,288,300)(H,264,289,301)(H,265,290,302)(H3,221,256,259,291)(H3,222,257,260,292)(H3,223,258,261,293)
InChIKey
YNAKSAASFNTNBZ-UHFFFAOYSA-N
Compound name
[3-[[3-[[3-[[3-[[3-[[3-[[3-[[3-[[3-[[3-[[3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-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-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-methylphosphoryl]oxyoxolan-2-yl]methoxy-methylphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(6-aminopurin-9-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]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(6-aminopurin-9-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-(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]methyl decyl hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

6307.243 Da
Monoisotopic Mass

-32.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 6308.2503 311.5
[M+Na]+ 6330.2322 311.5
[M-H]- 6306.2357 311.5
[M+NH4]+ 6325.2768 311.5
[M+K]+ 6346.2062 311.5
[M+H-H2O]+ 6290.2403 311.5
[M+HCOO]- 6352.2412 311.5
[M+CH3COO]- 6366.2569 311.5
[M+Na-2H]- 6328.2177 311.5
[M]+ 6307.2425 311.5
[M]- 6307.2435 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.