CID 16204661
5'-gggcgtgggcg-3'
Structural Information
- Molecular Formula
- C108H135N48O57P11S11
- SMILES
- CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=S)(O)OC3CC(OC3COP(=S)(O)OC4CC(OC4COP(=S)(O)OC5CC(OC5COP(=O)(OC6CC(OC6COP(=S)(O)OC7CC(OC7COP(=S)(O)O)N8C=NC9=C8N=C(NC9=O)N)N1C=NC2=C1N=C(NC2=O)N)S)N1C=NC2=C1N=C(NC2=O)N)N1C=CC(=NC1=O)N)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=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
- InChI
- InChI=1S/C108H135N48O57P11S11/c1-37-17-148(108(169)145-89(37)158)65-9-41(206-217(174,228)188-24-55-46(14-70(199-55)154-34-124-78-86(154)134-103(116)142-95(78)164)211-222(179,233)192-28-59-48(16-72(203-59)156-36-126-80-88(156)136-105(118)144-97(80)166)213-224(181,235)191-26-57-43(11-67(201-57)151-31-121-75-83(151)131-100(113)139-92(75)161)208-219(176,230)184-20-51-39(7-63(194-51)146-4-2-60(109)127-106(146)167)204-215(172,226)183-18-49-38(157)6-62(193-49)149-29-119-73-81(149)129-98(111)137-90(73)159)53(196-65)22-186-221(178,232)210-45-13-69(153-33-123-77-85(153)133-102(115)141-94(77)163)198-54(45)23-187-216(173,227)205-40-8-64(147-5-3-61(110)128-107(147)168)195-52(40)21-185-220(177,231)209-44-12-68(152-32-122-76-84(152)132-101(114)140-93(76)162)202-58(44)27-190-223(180,234)212-47-15-71(155-35-125-79-87(155)135-104(117)143-96(79)165)200-56(47)25-189-218(175,229)207-42-10-66(197-50(42)19-182-214(170,171)225)150-30-120-74-82(150)130-99(112)138-91(74)160/h2-5,17,29-36,38-59,62-72,157H,6-16,18-28H2,1H3,(H,172,226)(H,173,227)(H,174,228)(H,175,229)(H,176,230)(H,177,231)(H,178,232)(H,179,233)(H,180,234)(H,181,235)(H2,109,127,167)(H2,110,128,168)(H,145,158,169)(H2,170,171,225)(H3,111,129,137,159)(H3,112,130,138,160)(H3,113,131,139,161)(H3,114,132,140,162)(H3,115,133,141,163)(H3,116,134,142,164)(H3,117,135,143,165)(H3,118,136,144,166)
- InChIKey
- DCJCZXNWXZVQAO-UHFFFAOYSA-N
- Compound name
- 1-[5-[[[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-(dihydroxyphosphinothioyloxymethyl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-sulfanylphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-4-[[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-hydroxyphosphinothioyl]oxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 3709.3253 | 307.9 |
[M+Na]+ | 3731.3072 | 308.6 |
[M-H]- | 3707.3107 | 307.9 |
[M+NH4]+ | 3726.3518 | 308.1 |
[M+K]+ | 3747.2812 | 308.2 |
[M+H-H2O]+ | 3691.3153 | 307.9 |
[M+HCOO]- | 3753.3162 | 308.2 |
[M+CH3COO]- | 3767.3319 | 308.3 |
[M+Na-2H]- | 3729.2927 | 309.0 |
[M]+ | 3708.3175 | 308.6 |
[M]- | 3708.3185 | 308.6 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.