CID 16729341
5'-(2'-methoxy)[g-guuuuugugu]-3'-oi
Structural Information
- Molecular Formula
- C132H180N34O83P10
- SMILES
- CCCCCCCC/C=C\CCCCCCCC(=O)O[C@@H]1[C@H](O[C@H](C1OC)N2C=CC(=O)NC2=O)COP(=O)(O)O[C@@H]3[C@H](O[C@H](C3OC)N4C=NC5=C4N=C(NC5=O)N)COP(=O)(O)O[C@@H]6[C@H](O[C@H](C6OC)N7C=CC(=O)NC7=O)COP(=O)(O)O[C@@H]8[C@H](O[C@H](C8OC)N9C=NC1=C9N=C(NC1=O)N)COP(=O)(O)O[C@@H]1[C@H](O[C@H](C1OC)N1C=CC(=O)NC1=O)COP(=O)(O)O[C@@H]1[C@H](O[C@H](C1OC)N1C=CC(=O)NC1=O)COP(=O)(O)O[C@@H]1[C@H](O[C@H](C1OC)N1C=CC(=O)NC1=O)COP(=O)(O)O[C@@H]1[C@H](O[C@H](C1OC)N1C=CC(=O)NC1=O)COP(=O)(O)O[C@@H]1[C@H](O[C@H](C1OC)N1C=CC(=O)NC1=O)COP(=O)(O)O[C@@H]1[C@H](O[C@H](C1OC)N1C=NC2=C1N=C(NC2=O)N)COP(=O)(O)O[C@@H]1[C@H](O[C@H](C1OC)N1C=NC2=C1N=C(NC2=O)N)CO
- InChI
- InChI=1S/C132H180N34O83P10/c1-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-76(175)239-81-59(229-111(92(81)207-2)156-36-29-69(168)141-126(156)180)44-218-251(189,190)247-89-67(237-119(100(89)215-10)164-55-138-78-104(164)149-123(134)153-108(78)177)52-226-256(199,200)246-88-65(235-117(99(88)214-9)162-42-35-75(174)147-132(162)186)50-225-259(205,206)249-91-68(238-121(102(91)217-12)166-57-140-80-106(166)151-125(136)155-110(80)179)53-227-257(201,202)245-87-63(233-116(98(87)213-8)161-41-34-74(173)146-131(161)185)48-223-254(195,196)243-85-61(231-114(96(85)211-6)159-39-32-72(171)144-129(159)183)46-221-252(191,192)241-83-60(230-112(94(83)209-4)157-37-30-70(169)142-127(157)181)45-220-253(193,194)242-84-62(232-113(95(84)210-5)158-38-31-71(170)143-128(158)182)47-222-255(197,198)244-86-64(234-115(97(86)212-7)160-40-33-73(172)145-130(160)184)49-224-258(203,204)248-90-66(236-120(101(90)216-11)165-56-139-79-105(165)150-124(135)154-109(79)178)51-219-250(187,188)240-82-58(43-167)228-118(93(82)208-3)163-54-137-77-103(163)148-122(133)152-107(77)176/h20-21,29-42,54-68,81-102,111-121,167H,13-19,22-28,43-53H2,1-12H3,(H,187,188)(H,189,190)(H,191,192)(H,193,194)(H,195,196)(H,197,198)(H,199,200)(H,201,202)(H,203,204)(H,205,206)(H,141,168,180)(H,142,169,181)(H,143,170,182)(H,144,171,183)(H,145,172,184)(H,146,173,185)(H,147,174,186)(H3,133,148,152,176)(H3,134,149,153,177)(H3,135,150,154,178)(H3,136,151,155,179)/b21-20-/t58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92?,93?,94?,95?,96?,97?,98?,99?,100?,101?,102?,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-/m1/s1
- InChIKey
- QGAHWRQVTZWDDV-NSLAZCQGSA-N
- Compound name
- [(2R,3R,5R)-2-[[[(2R,3R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[(2R,3R,5R)-2-[[[(2R,3R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[(2R,3R,5R)-2-[[[(2R,3R,5R)-2-[[[(2R,3R,5R)-2-[[[(2R,3R,5R)-2-[[[(2R,3R,5R)-2-[[[(2R,3R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[(2R,3R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-(hydroxymethyl)-4-methoxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-4-methoxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(2,4-dioxopyrimidin-1-yl)-4-methoxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(2,4-dioxopyrimidin-1-yl)-4-methoxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(2,4-dioxopyrimidin-1-yl)-4-methoxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(2,4-dioxopyrimidin-1-yl)-4-methoxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(2,4-dioxopyrimidin-1-yl)-4-methoxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-4-methoxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(2,4-dioxopyrimidin-1-yl)-4-methoxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-4-methoxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(2,4-dioxopyrimidin-1-yl)-4-methoxyoxolan-3-yl] (Z)-octadec-9-enoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 3879.8359 | 307.2 |
[M+Na]+ | 3901.8178 | 309.4 |
[M-H]- | 3877.8213 | 308.3 |
[M+NH4]+ | 3896.8624 | 308.0 |
[M+K]+ | 3917.7918 | 307.6 |
[M+H-H2O]+ | 3861.8259 | 306.2 |
[M+HCOO]- | 3923.8268 | 308.0 |
[M+CH3COO]- | 3937.8425 | 308.0 |
[M+Na-2H]- | 3899.8033 | 310.9 |
[M]+ | 3878.8281 | 307.9 |
[M]- | 3878.8291 | 307.9 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.