CID 16204629
5'-cctcctccttgcgggag-3'
Structural Information
- Molecular Formula
- C163H210N59O89P17S17
- SMILES
- CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=S)(O)OC3CC(OC3COP(=S)(O)OC4CC(OC4COP(=S)(O)O)N5C=CC(=NC5=O)N)N6C=CC(=NC6=O)N)OP(=S)(O)OCC7C(CC(O7)N8C=CC(=NC8=O)N)OP(=S)(O)OCC9C(CC(O9)N1C=CC(=NC1=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)OP(=S)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)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(=S)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)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=NC2=C(N=CN=C21)N)OP(=S)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)O)S
- InChI
- InChI=1S/C163H210N59O89P17S17/c1-64-36-213(160(240)202-139(64)224)117-27-76(93(287-117)48-270-317(250,334)299-72-23-113(209-15-8-105(167)188-156(209)236)281-87(72)42-264-314(247,331)296-69-20-110(206-12-5-102(164)185-153(206)233)280-86(69)41-262-312(244,245)329)303-321(254,338)267-45-90-70(21-111(284-90)207-13-6-103(165)186-154(207)234)297-315(248,332)265-43-88-73(24-114(282-88)210-16-9-106(168)189-157(210)237)300-318(251,335)271-49-94-77(28-118(288-94)214-37-65(2)140(225)203-161(214)241)304-322(255,339)268-46-91-71(22-112(285-91)208-14-7-104(166)187-155(208)235)298-316(249,333)266-44-89-74(25-115(283-89)211-17-10-107(169)190-158(211)238)301-319(252,336)272-50-95-78(29-119(289-95)215-38-66(3)141(226)204-162(215)242)305-323(256,340)273-51-96-79(30-120(290-96)216-39-67(4)142(227)205-163(216)243)306-324(257,341)276-54-99-81(32-122(293-99)219-60-181-128-135(219)193-149(173)198-144(128)229)308-325(258,342)269-47-92-75(26-116(286-92)212-18-11-108(170)191-159(212)239)302-320(253,337)275-53-98-82(33-123(292-98)220-61-182-129-136(220)194-150(174)199-145(129)230)310-327(260,344)278-56-101-84(35-125(295-101)222-63-184-131-138(222)196-152(176)201-147(131)232)311-328(261,345)277-55-100-83(34-124(294-100)221-62-183-130-137(221)195-151(175)200-146(130)231)309-326(259,343)274-52-97-80(31-121(291-97)217-58-179-126-132(171)177-57-178-133(126)217)307-313(246,330)263-40-85-68(223)19-109(279-85)218-59-180-127-134(218)192-148(172)197-143(127)228/h5-18,36-39,57-63,68-101,109-125,223H,19-35,40-56H2,1-4H3,(H,246,330)(H,247,331)(H,248,332)(H,249,333)(H,250,334)(H,251,335)(H,252,336)(H,253,337)(H,254,338)(H,255,339)(H,256,340)(H,257,341)(H,258,342)(H,259,343)(H,260,344)(H,261,345)(H2,164,185,233)(H2,165,186,234)(H2,166,187,235)(H2,167,188,236)(H2,168,189,237)(H2,169,190,238)(H2,170,191,239)(H2,171,177,178)(H,202,224,240)(H,203,225,241)(H,204,226,242)(H,205,227,243)(H2,244,245,329)(H3,172,192,197,228)(H3,173,193,198,229)(H3,174,194,199,230)(H3,175,195,200,231)(H3,176,196,201,232)
- InChIKey
- QZQGJFDPBUTJOX-UHFFFAOYSA-N
- Compound name
- 1-[4-[[3-[[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-[[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-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]methoxy-sulfanylphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]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-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-(dihydroxyphosphinothioyloxymethyl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]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]+ | 5488.4583 | 311.5 |
[M+Na]+ | 5510.4402 | 311.5 |
[M-H]- | 5486.4437 | 311.5 |
[M+NH4]+ | 5505.4848 | 311.5 |
[M+K]+ | 5526.4142 | 311.5 |
[M+H-H2O]+ | 5470.4483 | 311.5 |
[M+HCOO]- | 5532.4492 | 311.5 |
[M+CH3COO]- | 5546.4649 | 311.5 |
[M+Na-2H]- | 5508.4257 | 311.5 |
[M]+ | 5487.4505 | 311.5 |
[M]- | 5487.4515 | 311.5 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.