CID 16133700
[d(ggggttagggaggagggt)]2
Structural Information
- Molecular Formula
- C180H220N81O106P17
- 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(OC1CO)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=C(C(=O)NC1=O)C)N1C=C(C(=O)NC1=O)C)N1C=NC2=C(N=CN=C21)N)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C(N=CN=C21)N)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C(N=CN=C21)N)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)O
- InChI
- InChI=1S/C180H220N81O106P17/c1-61-22-244(178(279)241-151(61)264)100-4-64(263)83(334-100)26-316-368(282,283)354-71-11-107(251-50-206-122-140(251)218-167(185)230-155(122)268)341-90(71)33-326-378(302,303)362-79-19-115(259-58-214-130-148(259)226-175(193)238-163(130)276)349-98(79)41-331-382(310,311)365-78-18-114(258-57-213-129-147(258)225-174(192)237-162(129)275)344-93(78)36-325-375(296,297)357-70-10-105(249-48-204-120-135(183)198-45-201-138(120)249)338-87(70)30-321-376(298,299)360-74-14-110(254-53-209-125-143(254)221-170(188)233-158(125)271)346-95(74)38-329-381(308,309)363-77-17-113(257-56-212-128-146(257)224-173(191)236-161(128)274)343-92(77)35-324-374(294,295)356-69-9-104(248-47-203-119-134(182)197-44-200-137(119)248)339-88(69)31-322-377(300,301)361-75-15-111(255-54-210-126-144(255)222-171(189)234-159(126)272)347-96(75)39-330-384(314,315)367-81-21-117(261-60-216-132-150(261)228-177(195)240-165(132)278)350-99(81)42-332-383(312,313)364-76-16-112(256-55-211-127-145(256)223-172(190)235-160(127)273)342-91(76)34-323-373(292,293)355-68-8-103(247-46-202-118-133(181)196-43-199-136(118)247)337-86(68)29-320-371(288,289)353-67-7-102(246-24-63(3)153(266)243-180(246)281)335-84(67)27-318-370(286,287)352-66-6-101(245-23-62(2)152(265)242-179(245)280)336-85(66)28-319-372(290,291)358-73-13-109(253-52-208-124-142(253)220-169(187)232-157(124)270)345-94(73)37-328-380(306,307)366-80-20-116(260-59-215-131-149(260)227-176(194)239-164(131)277)348-97(80)40-327-379(304,305)359-72-12-108(252-51-207-123-141(252)219-168(186)231-156(123)269)340-89(72)32-317-369(284,285)351-65-5-106(333-82(65)25-262)250-49-205-121-139(250)217-166(184)229-154(121)267/h22-24,43-60,64-117,262-263H,4-21,25-42H2,1-3H3,(H,282,283)(H,284,285)(H,286,287)(H,288,289)(H,290,291)(H,292,293)(H,294,295)(H,296,297)(H,298,299)(H,300,301)(H,302,303)(H,304,305)(H,306,307)(H,308,309)(H,310,311)(H,312,313)(H,314,315)(H2,181,196,199)(H2,182,197,200)(H2,183,198,201)(H,241,264,279)(H,242,265,280)(H,243,266,281)(H3,184,217,229,267)(H3,185,218,230,268)(H3,186,219,231,269)(H3,187,220,232,270)(H3,188,221,233,271)(H3,189,222,234,272)(H3,190,223,235,273)(H3,191,224,236,274)(H3,192,225,237,275)(H3,193,226,238,276)(H3,194,227,239,277)(H3,195,228,240,278)
- InChIKey
- SFUDUKKNEWNMPA-UHFFFAOYSA-N
- Compound name
- [5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[2-[[[2-[[[2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]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]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]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
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 5738.9927 | 311.5 |
[M+Na]+ | 5760.9746 | 311.5 |
[M-H]- | 5736.9781 | 311.5 |
[M+NH4]+ | 5756.0192 | 311.5 |
[M+K]+ | 5776.9486 | 311.5 |
[M+H-H2O]+ | 5720.9827 | 311.5 |
[M+HCOO]- | 5782.9836 | 311.5 |
[M+CH3COO]- | 5796.9993 | 311.5 |
[M+Na-2H]- | 5758.9601 | 311.5 |
[M]+ | 5737.9849 | 311.5 |
[M]- | 5737.9859 | 311.5 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.