CID 16204666
5'-ttttttttttgggcg-3'
Structural Information
- Molecular Formula
- C149H192N43O86P15S15
- 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=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/C149H192N43O86P15S15/c1-57-28-179(140(209)168-121(57)194)100-15-69(83(252-100)39-235-279(219,220)294)266-281(222,296)238-41-85-70(16-101(253-85)180-29-58(2)122(195)169-141(180)210)267-282(223,297)239-42-86-71(17-102(254-86)181-30-59(3)123(196)170-142(181)211)268-283(224,298)240-43-87-72(18-103(255-87)182-31-60(4)124(197)171-143(182)212)269-284(225,299)241-44-88-73(19-104(256-88)183-32-61(5)125(198)172-144(183)213)270-285(226,300)242-45-89-74(20-105(257-89)184-33-62(6)126(199)173-145(184)214)271-286(227,301)243-46-90-75(21-106(258-90)185-34-63(7)127(200)174-146(185)215)272-287(228,302)244-47-91-76(22-107(259-91)186-35-64(8)128(201)175-147(186)216)273-288(229,303)245-48-92-77(23-108(260-92)187-36-65(9)129(202)176-148(187)217)274-289(230,304)246-49-93-78(24-109(261-93)188-37-66(10)130(203)177-149(188)218)275-290(231,305)247-50-94-80(26-111(262-94)191-55-157-115-119(191)162-137(153)166-133(115)206)277-292(233,307)249-52-96-81(27-112(264-96)192-56-158-116-120(192)163-138(154)167-134(116)207)278-293(234,308)248-51-95-79(25-110(263-95)190-54-156-114-118(190)161-136(152)165-132(114)205)276-291(232,306)237-40-84-68(14-99(251-84)178-12-11-97(150)159-139(178)208)265-280(221,295)236-38-82-67(193)13-98(250-82)189-53-155-113-117(189)160-135(151)164-131(113)204/h11-12,28-37,53-56,67-96,98-112,193H,13-27,38-52H2,1-10H3,(H,221,295)(H,222,296)(H,223,297)(H,224,298)(H,225,299)(H,226,300)(H,227,301)(H,228,302)(H,229,303)(H,230,304)(H,231,305)(H,232,306)(H,233,307)(H,234,308)(H2,150,159,208)(H,168,194,209)(H,169,195,210)(H,170,196,211)(H,171,197,212)(H,172,198,213)(H,173,199,214)(H,174,200,215)(H,175,201,216)(H,176,202,217)(H,177,203,218)(H2,219,220,294)(H3,151,160,164,204)(H3,152,161,165,205)(H3,153,162,166,206)(H3,154,163,167,207)
- InChIKey
- WANVOWXVNBVKSZ-UHFFFAOYSA-N
- Compound name
- 1-[4-[[3-[[3-[[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-(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]+ | 4904.3923 | 311.6 |
[M+Na]+ | 4926.3742 | 311.7 |
[M-H]- | 4902.3777 | 311.6 |
[M+NH4]+ | 4921.4188 | 311.6 |
[M+K]+ | 4942.3482 | 311.6 |
[M+H-H2O]+ | 4886.3823 | 311.6 |
[M+HCOO]- | 4948.3832 | 311.6 |
[M+CH3COO]- | 4962.3989 | 311.6 |
[M+Na-2H]- | 4924.3597 | 311.7 |
[M]+ | 4903.3845 | 311.7 |
[M]- | 4903.3855 | 311.7 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.