CID 16204665
5'-ttttttttgggcg-3'
Structural Information
- Molecular Formula
- C129H166N39O74P13S13
- SMILES
- CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=S)(O)O)OP(=S)(O)OCC3C(CC(O3)N4C=C(C(=O)NC4=O)C)OP(=S)(O)OCC5C(CC(O5)N6C=C(C(=O)NC6=O)C)OP(=S)(O)OCC7C(CC(O7)N8C=C(C(=O)NC8=O)C)OP(=S)(O)OCC9C(CC(O9)N1C=C(C(=O)NC1=O)C)OP(=S)(O)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)OP(=S)(O)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)OP(=S)(O)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)OP(=S)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)OP(=O)(OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)O)S
- InChI
- InChI=1S/C129H166N39O74P13S13/c1-49-24-157(122(183)148-105(49)170)86-13-59(71(220-86)33-205-243(191,192)256)232-245(194,258)208-35-73-60(14-87(221-73)158-25-50(2)106(171)149-123(158)184)233-246(195,259)209-36-74-61(15-88(222-74)159-26-51(3)107(172)150-124(159)185)234-247(196,260)210-37-75-62(16-89(223-75)160-27-52(4)108(173)151-125(160)186)235-248(197,261)211-38-76-63(17-90(224-76)161-28-53(5)109(174)152-126(161)187)236-249(198,262)212-39-77-64(18-91(225-77)162-29-54(6)110(175)153-127(162)188)237-250(199,263)213-40-78-65(19-92(226-78)163-30-55(7)111(176)154-128(163)189)238-251(200,264)214-41-79-66(20-93(227-79)164-31-56(8)112(177)155-129(164)190)239-252(201,265)215-42-80-68(22-95(228-80)167-47-137-99-103(167)142-119(133)146-115(99)180)241-254(203,267)217-44-82-69(23-96(230-82)168-48-138-100-104(168)143-120(134)147-116(100)181)242-255(204,268)216-43-81-67(21-94(229-81)166-46-136-98-102(166)141-118(132)145-114(98)179)240-253(202,266)207-34-72-58(12-85(219-72)156-10-9-83(130)139-121(156)182)231-244(193,257)206-32-70-57(169)11-84(218-70)165-45-135-97-101(165)140-117(131)144-113(97)178/h9-10,24-31,45-48,57-82,84-96,169H,11-23,32-44H2,1-8H3,(H,193,257)(H,194,258)(H,195,259)(H,196,260)(H,197,261)(H,198,262)(H,199,263)(H,200,264)(H,201,265)(H,202,266)(H,203,267)(H,204,268)(H2,130,139,182)(H,148,170,183)(H,149,171,184)(H,150,172,185)(H,151,173,186)(H,152,174,187)(H,153,175,188)(H,154,176,189)(H,155,177,190)(H2,191,192,256)(H3,131,140,144,178)(H3,132,141,145,179)(H3,133,142,146,180)(H3,134,143,147,181)
- InChIKey
- DFZANIOORBWIGG-UHFFFAOYSA-N
- Compound name
- 1-[4-[[3-[[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-(2-amino-6-oxo-1H-purin-9-yl)-3-[[3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]methoxy-sulfanylphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(dihydroxyphosphinothioyloxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 4264.3457 | 310.7 |
[M+Na]+ | 4286.3276 | 311.1 |
[M-H]- | 4262.3311 | 310.8 |
[M+NH4]+ | 4281.3722 | 310.8 |
[M+K]+ | 4302.3016 | 310.8 |
[M+H-H2O]+ | 4246.3357 | 310.6 |
[M+HCOO]- | 4308.3366 | 310.8 |
[M+CH3COO]- | 4322.3523 | 310.9 |
[M+Na-2H]- | 4284.3131 | 311.3 |
[M]+ | 4263.3379 | 311.1 |
[M]- | 4263.3389 | 311.1 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.