CID 16134104
5'-d(gggigggigggtgggt)-3'
Structural Information
- Molecular Formula
- C166H209N72O100P15
- 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(OC1CO)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(=O)NCCCN)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(=O)NCCCN)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=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)O
- InChI
- InChI=1S/C166H209N72O100P15/c1-57-25-223(163(259)219-133(57)241)93-9-61(240)78(309-93)30-293-339(263,264)328-66-14-98(228-46-184-110-122(228)196-152(170)208-140(110)248)314-83(66)35-301-347(279,280)336-74-22-106(236-54-192-118-130(236)204-160(178)216-148(118)256)321-90(74)42-305-349(283,284)333-71-19-103(233-51-189-115-127(233)201-157(175)213-145(115)253)315-84(71)36-298-341(267,268)325-63-11-94(224-26-58(2)134(242)220-164(224)260)310-79(63)31-295-344(273,274)329-68-16-100(230-48-186-112-124(230)198-154(172)210-142(112)250)318-87(68)39-303-352(289,290)337-75-23-107(237-55-193-119-131(237)205-161(179)217-149(119)257)322-91(75)43-306-350(285,286)334-72-20-104(234-52-190-116-128(234)202-158(176)214-146(116)254)316-85(72)37-300-343(271,272)327-65-13-96(226-28-60(138(246)222-166(226)262)136(244)182-8-4-6-168)312-81(65)33-297-346(277,278)331-70-18-102(232-50-188-114-126(232)200-156(174)212-144(114)252)320-89(70)41-304-353(291,292)338-76-24-108(238-56-194-120-132(238)206-162(180)218-150(120)258)323-92(76)44-307-351(287,288)335-73-21-105(235-53-191-117-129(235)203-159(177)215-147(117)255)317-86(73)38-299-342(269,270)326-64-12-95(225-27-59(137(245)221-165(225)261)135(243)181-7-3-5-167)311-80(64)32-296-345(275,276)330-69-17-101(231-49-187-113-125(231)199-155(173)211-143(113)251)319-88(69)40-302-348(281,282)332-67-15-99(229-47-185-111-123(229)197-153(171)209-141(111)249)313-82(67)34-294-340(265,266)324-62-10-97(308-77(62)29-239)227-45-183-109-121(227)195-151(169)207-139(109)247/h25-28,45-56,61-108,239-240H,3-24,29-44,167-168H2,1-2H3,(H,181,243)(H,182,244)(H,263,264)(H,265,266)(H,267,268)(H,269,270)(H,271,272)(H,273,274)(H,275,276)(H,277,278)(H,279,280)(H,281,282)(H,283,284)(H,285,286)(H,287,288)(H,289,290)(H,291,292)(H,219,241,259)(H,220,242,260)(H,221,245,261)(H,222,246,262)(H3,169,195,207,247)(H3,170,196,208,248)(H3,171,197,209,249)(H3,172,198,210,250)(H3,173,199,211,251)(H3,174,200,212,252)(H3,175,201,213,253)(H3,176,202,214,254)(H3,177,203,215,255)(H3,178,204,216,256)(H3,179,205,217,257)(H3,180,206,218,258)
- InChIKey
- BTQIBIIONOODHL-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-[[[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-[[[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]-5-[5-(3-aminopropylcarbamoyl)-2,4-dioxopyrimidin-1-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-[5-(3-aminopropylcarbamoyl)-2,4-dioxopyrimidin-1-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-(5-methyl-2,4-dioxopyrimidin-1-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]+ | 5275.9619 | 311.5 |
[M+Na]+ | 5297.9438 | 311.5 |
[M-H]- | 5273.9473 | 311.5 |
[M+NH4]+ | 5292.9884 | 311.5 |
[M+K]+ | 5313.9178 | 311.5 |
[M+H-H2O]+ | 5257.9519 | 311.5 |
[M+HCOO]- | 5319.9528 | 311.5 |
[M+CH3COO]- | 5333.9685 | 311.5 |
[M+Na-2H]- | 5295.9293 | 311.5 |
[M]+ | 5274.9541 | 311.5 |
[M]- | 5274.9551 | 311.5 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.