CID 16134107
5'-d(gggigggigggigggt)-3'
Structural Information
- Molecular Formula
- C169H215N74O101P15
- 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(=O)NCCCN)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/C169H215N74O101P15/c1-59-27-228(166(265)224-135(59)246)95-11-63(245)80(315-95)32-299-345(269,270)334-68-16-100(233-48-189-112-124(233)201-155(174)213-143(112)254)320-85(68)37-307-353(285,286)342-76-24-108(241-56-197-120-132(241)209-163(182)221-151(120)262)327-92(76)44-311-355(289,290)339-73-21-105(238-53-194-117-129(238)206-160(179)218-148(117)259)321-86(73)38-304-347(273,274)332-66-14-97(230-29-61(140(251)226-168(230)267)137(248)186-9-3-6-171)317-82(66)34-302-351(281,282)336-71-19-103(236-51-192-115-127(236)204-158(177)216-146(115)257)325-90(71)42-309-358(295,296)344-78-26-110(243-58-199-122-134(243)211-165(184)223-153(122)264)329-94(78)46-313-357(293,294)341-75-23-107(240-55-196-119-131(240)208-162(181)220-150(119)261)323-88(75)40-306-349(277,278)333-67-15-98(231-30-62(141(252)227-169(231)268)138(249)187-10-4-7-172)318-83(67)35-303-352(283,284)337-72-20-104(237-52-193-116-128(237)205-159(178)217-147(116)258)326-91(72)43-310-359(297,298)343-77-25-109(242-57-198-121-133(242)210-164(183)222-152(121)263)328-93(77)45-312-356(291,292)340-74-22-106(239-54-195-118-130(239)207-161(180)219-149(118)260)322-87(74)39-305-348(275,276)331-65-13-96(229-28-60(139(250)225-167(229)266)136(247)185-8-2-5-170)316-81(65)33-301-350(279,280)335-70-18-102(235-50-191-114-126(235)203-157(176)215-145(114)256)324-89(70)41-308-354(287,288)338-69-17-101(234-49-190-113-125(234)202-156(175)214-144(113)255)319-84(69)36-300-346(271,272)330-64-12-99(314-79(64)31-244)232-47-188-111-123(232)200-154(173)212-142(111)253/h27-30,47-58,63-110,244-245H,2-26,31-46,170-172H2,1H3,(H,185,247)(H,186,248)(H,187,249)(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,293,294)(H,295,296)(H,297,298)(H,224,246,265)(H,225,250,266)(H,226,251,267)(H,227,252,268)(H3,173,200,212,253)(H3,174,201,213,254)(H3,175,202,214,255)(H3,176,203,215,256)(H3,177,204,216,257)(H3,178,205,217,258)(H3,179,206,218,259)(H3,180,207,219,260)(H3,181,208,220,261)(H3,182,209,221,262)(H3,183,210,222,263)(H3,184,211,223,264)
- InChIKey
- WNDPDDRCTBCUHD-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-(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] [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]+ | 5362.0097 | 311.5 |
[M+Na]+ | 5383.9916 | 311.5 |
[M-H]- | 5359.9951 | 311.5 |
[M+NH4]+ | 5379.0362 | 311.5 |
[M+K]+ | 5399.9656 | 311.5 |
[M+H-H2O]+ | 5343.9997 | 311.5 |
[M+HCOO]- | 5406.0006 | 311.5 |
[M+CH3COO]- | 5420.0163 | 311.5 |
[M+Na-2H]- | 5381.9771 | 311.5 |
[M]+ | 5361.0019 | 311.5 |
[M]- | 5361.0029 | 311.5 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.