CID 16197264
Antisense oligo to capped 5' end of hiv rna
Structural Information
- Molecular Formula
- C158H208N62O70P14
- SMILES
- CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)OC3CC(OC3CO)N4C=CC(=NC4=O)N)OP(=O)(C)OCC5C(CC(O5)N6C=NC7=C(N=CN=C76)N)OP(=O)(C)OCC8C(CC(O8)N9C=NC1=C(N=CN=C19)N)OP(=O)(C)OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=O)(C)OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=O)(C)OCC1C(CC(O1)N1C=NC2=C(N=CN=C21)N)OP(=O)(C)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)OP(=O)(C)OCC1C(CC(O1)N1C=NC2=C(N=CN=C21)N)OP(=O)(C)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)OP(=O)(C)OCC1C(CC(O1)N1C=NC2=C(N=CN=C21)N)OP(=O)(C)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)OP(=O)(C)OCC1C(CC(O1)N1C=NC2=C(N=CN=C21)N)OP(=O)(C)OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=O)(C)OCC1C(CC(O1)N1C=CC(=NC1=O)N)O
- InChI
- InChI=1S/C158H208N62O70P14/c1-71-40-211(158(232)205-146(71)223)112-30-77(101(267-112)55-261-304(246,247)290-73-26-108(262-87(73)41-221)207-21-16-103(160)195-154(207)228)280-294(5,236)253-47-93-81(34-116(269-93)215-65-188-125-134(167)176-59-182-140(125)215)283-297(8,239)254-48-94-78(31-113(270-94)212-62-185-122-131(164)173-56-179-137(122)212)282-296(7,238)251-45-91-75(28-110(266-91)209-23-18-105(162)197-156(209)230)278-292(3,234)249-44-90-76(29-111(265-90)210-24-19-106(163)198-157(210)231)279-293(4,235)252-46-92-80(33-115(268-92)214-64-187-124-133(166)175-58-181-139(124)214)284-298(9,240)258-52-98-85(38-120(274-98)219-69-192-129-144(219)200-151(171)203-148(129)225)288-302(13,244)256-50-96-83(36-118(272-96)217-67-190-127-136(169)178-61-184-142(127)217)286-300(11,242)260-54-100-86(39-121(276-100)220-70-193-130-145(220)201-152(172)204-149(130)226)289-303(14,245)257-51-97-82(35-117(273-97)216-66-189-126-135(168)177-60-183-141(126)216)285-299(10,241)259-53-99-84(37-119(275-99)218-68-191-128-143(218)199-150(170)202-147(128)224)287-301(12,243)255-49-95-79(32-114(271-95)213-63-186-123-132(165)174-57-180-138(123)213)281-295(6,237)250-43-89-74(27-109(264-89)208-22-17-104(161)196-155(208)229)277-291(2,233)248-42-88-72(222)25-107(263-88)206-20-15-102(159)194-153(206)227/h15-24,40,56-70,72-101,107-121,221-222H,25-39,41-55H2,1-14H3,(H,246,247)(H2,159,194,227)(H2,160,195,228)(H2,161,196,229)(H2,162,197,230)(H2,163,198,231)(H2,164,173,179)(H2,165,174,180)(H2,166,175,181)(H2,167,176,182)(H2,168,177,183)(H2,169,178,184)(H,205,223,232)(H3,170,199,202,224)(H3,171,200,203,225)(H3,172,201,204,226)
- InChIKey
- BBOIRXIIDJICOR-UHFFFAOYSA-N
- Compound name
- [3-[[3-[[3-[[3-[[3-[[3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[3-[[5-(4-amino-2-oxopyrimidin-1-yl)-3-[[5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-methylphosphoryl]oxyoxolan-2-yl]methoxy-methylphosphoryl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-methylphosphoryl]oxyoxolan-2-yl]methoxy-methylphosphoryl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-methylphosphoryl]oxyoxolan-2-yl]methoxy-methylphosphoryl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-methylphosphoryl]oxyoxolan-2-yl]methoxy-methylphosphoryl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-methylphosphoryl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-methylphosphoryl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-methylphosphoryl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-methylphosphoryl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-methylphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl [5-(4-amino-2-oxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl] hydrogen phosphate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
| Adduct | m/z | Predicted CCS (Ų) |
|---|---|---|
| [M+H]+ | 4528.1020 | 310.6 |
| [M+Na]+ | 4550.0839 | 310.7 |
| [M-H]- | 4526.0874 | 310.6 |
| [M+NH4]+ | 4545.1285 | 310.6 |
| [M+K]+ | 4566.0579 | 310.6 |
| [M+H-H2O]+ | 4510.0920 | 310.6 |
| [M+HCOO]- | 4572.0929 | 310.6 |
| [M+CH3COO]- | 4586.1086 | 310.6 |
| [M+Na-2H]- | 4548.0694 | 310.8 |
| [M]+ | 4527.0942 | 310.7 |
| [M]- | 4527.0952 | 310.7 |
Literature stripe
Patent stripe
No patent data available for this compound.