CID 16186515
5'-dmtr-ggaggtgggtctg-3'
Structural Information
- Molecular Formula
- C150H178N54O80P12
- SMILES
- CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O[C@H]3C[C@@H](O[C@@H]3COP(=O)(O)O[C@H]4C[C@@H](O[C@@H]4COP(=O)(O)O[C@H]5C[C@@H](O[C@@H]5COP(=O)(O)O[C@H]6C[C@@H](O[C@@H]6COP(=O)(O)O[C@H]7C[C@@H](O[C@@H]7COP(=O)(O)O[C@H]8C[C@@H](O[C@@H]8COP(=O)(O)O[C@H]9C[C@@H](O[C@@H]9COP(=O)(O)O[C@H]1C[C@@H](O[C@@H]1COP(=O)(O)O[C@H]1CC(O[C@@H]1COP(=O)(O)O[C@H]1C[C@@H](O[C@@H]1COP(=O)(O)O[C@H]1C[C@@H](O[C@@H]1COC(C1=CC=CC=C1)(C1=CC=C(C=C1)OC)C1=CC=C(C=C1)OC)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C(N=CN=C21)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)N1C=C(C(=O)NC1=O)C)N1C=CC(=NC1=O)N)OP(=O)(O)OC[C@@H]1[C@H](C[C@@H](O1)N1C=NC2=C1N=C(NC2=O)N)O
- InChI
- InChI=1S/C150H178N54O80P12/c1-60-34-193(147(218)189-127(60)206)97-23-71(275-285(221,222)248-38-81-68(205)21-95(260-81)197-52-164-109-119(197)173-138(153)181-130(109)209)84(263-97)40-250-287(225,226)274-70-22-96(192-20-19-94(151)172-146(192)217)262-83(70)39-249-288(227,228)276-72-24-98(194-35-61(2)128(207)190-148(194)219)264-85(72)41-251-290(231,232)279-76-29-103(200-55-167-112-122(200)176-141(156)184-133(112)212)271-92(76)48-258-296(243,244)284-80-33-107(204-59-171-116-126(204)180-145(160)188-137(116)216)272-93(80)49-259-294(239,240)282-78-31-105(202-57-169-114-124(202)178-143(158)186-135(114)214)268-89(78)45-255-289(229,230)277-73-25-99(195-36-62(3)129(208)191-149(195)220)265-86(73)42-252-291(233,234)280-77-30-104(201-56-168-113-123(201)177-142(157)185-134(113)213)270-91(77)47-257-295(241,242)283-79-32-106(203-58-170-115-125(203)179-144(159)187-136(115)215)269-90(79)46-256-292(235,236)278-74-27-100(196-51-163-108-117(152)161-50-162-118(108)196)266-87(74)43-254-293(237,238)281-75-28-102(199-54-166-111-121(199)175-140(155)183-132(111)211)267-88(75)44-253-286(223,224)273-69-26-101(198-53-165-110-120(198)174-139(154)182-131(110)210)261-82(69)37-247-150(63-9-7-6-8-10-63,64-11-15-66(245-4)16-12-64)65-13-17-67(246-5)18-14-65/h6-20,34-36,50-59,68-93,95-107,205H,21-33,37-49H2,1-5H3,(H,221,222)(H,223,224)(H,225,226)(H,227,228)(H,229,230)(H,231,232)(H,233,234)(H,235,236)(H,237,238)(H,239,240)(H,241,242)(H,243,244)(H2,151,172,217)(H2,152,161,162)(H,189,206,218)(H,190,207,219)(H,191,208,220)(H3,153,173,181,209)(H3,154,174,182,210)(H3,155,175,183,211)(H3,156,176,184,212)(H3,157,177,185,213)(H3,158,178,186,214)(H3,159,179,187,215)(H3,160,180,188,216)/t68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81+,82+,83+,84+,85+,86+,87+,88+,89+,90+,91+,92+,93+,95+,96+,97+,98+,99+,100?,101+,102+,103+,104+,105+,106+,107+/m0/s1
- InChIKey
- AOBIRSBVHOZSGW-PYUHKDBKSA-N
- Compound name
- [(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[(2R,3S,5R)-2-[[[(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[(2R,3S)-2-[[[(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)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] [(2R,3S,5R)-3-[[(2R,3S,5R)-3-[[(2R,3S,5R)-3-[[(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-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]+ | 4387.8447 | 310.6 |
[M+Na]+ | 4409.8266 | 310.8 |
[M-H]- | 4385.8301 | 310.7 |
[M+NH4]+ | 4404.8712 | 310.7 |
[M+K]+ | 4425.8006 | 310.7 |
[M+H-H2O]+ | 4369.8347 | 310.6 |
[M+HCOO]- | 4431.8356 | 310.7 |
[M+CH3COO]- | 4445.8513 | 310.7 |
[M+Na-2H]- | 4407.8121 | 311.0 |
[M]+ | 4386.8369 | 310.8 |
[M]- | 4386.8379 | 310.8 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.