CID 16197457
Octyldecylamino-tgaccctcttcccatt
Structural Information
- Molecular Formula
- C171H237N49O100P16
- SMILES
- CCCCCCCCCCCCCCCCCCNP(=O)(O)OCC1C(CC(O1)N2C=C(C(=O)NC2=O)C)OP(=O)(O)OCC3C(CC(O3)N4C=NC5=C4N=C(NC5=O)N)OP(=O)(O)OCC6C(CC(O6)N7C=NC8=C(N=CN=C87)N)OP(=O)(O)OCC9C(CC(O9)N1C=CC(=NC1=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)OP(=O)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)OP(=O)(O)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)OP(=O)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=NC2=C(N=CN=C21)N)OP(=O)(O)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)OP(=O)(O)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)O
- InChI
- InChI=1S/C171H237N49O100P16/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-31-189-321(242,243)274-62-105-96(47-135(298-105)213-56-83(3)152(223)200-167(213)237)313-330(260,261)289-76-119-103(54-142(305-119)220-81-188-145-150(220)197-158(181)198-157(145)228)320-336(272,273)288-75-118-101(52-140(304-118)218-79-186-143-146(179)182-77-184-148(143)218)318-334(268,269)282-69-112-92(43-131(297-112)208-35-27-123(175)193-162(208)232)309-326(252,253)277-64-107-89(40-128(292-107)205-32-24-120(172)190-159(205)229)306-323(246,247)278-65-108-93(44-132(293-108)209-36-28-124(176)194-163(209)233)310-327(254,255)283-71-114-98(49-137(300-114)215-58-85(5)154(225)202-169(215)239)315-331(262,263)281-68-111-94(45-133(296-111)210-37-29-125(177)195-164(210)234)311-328(256,257)284-72-115-100(51-139(301-115)217-60-87(7)156(227)204-171(217)241)317-333(266,267)285-73-116-99(50-138(302-116)216-59-86(6)155(226)203-170(216)240)316-332(264,265)280-67-110-91(42-130(295-110)207-34-26-122(174)192-161(207)231)308-325(250,251)276-63-106-90(41-129(291-106)206-33-25-121(173)191-160(206)230)307-324(248,249)279-66-109-95(46-134(294-109)211-38-30-126(178)196-165(211)235)312-329(258,259)287-74-117-102(53-141(303-117)219-80-187-144-147(180)183-78-185-149(144)219)319-335(270,271)286-70-113-97(48-136(299-113)214-57-84(4)153(224)201-168(214)238)314-322(244,245)275-61-104-88(221)39-127(290-104)212-55-82(2)151(222)199-166(212)236/h24-30,32-38,55-60,77-81,88-119,127-142,221H,8-23,31,39-54,61-76H2,1-7H3,(H,244,245)(H,246,247)(H,248,249)(H,250,251)(H,252,253)(H,254,255)(H,256,257)(H,258,259)(H,260,261)(H,262,263)(H,264,265)(H,266,267)(H,268,269)(H,270,271)(H,272,273)(H2,172,190,229)(H2,173,191,230)(H2,174,192,231)(H2,175,193,232)(H2,176,194,233)(H2,177,195,234)(H2,178,196,235)(H2,179,182,184)(H2,180,183,185)(H2,189,242,243)(H,199,222,236)(H,200,223,237)(H,201,224,238)(H,202,225,239)(H,203,226,240)(H,204,227,241)(H3,181,197,198,228)
- InChIKey
- VZUUZWPOCMWMLJ-UHFFFAOYSA-N
- Compound name
- [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-[[5-(4-amino-2-oxopyrimidin-1-yl)-3-[[3-[[5-(4-amino-2-oxopyrimidin-1-yl)-3-[[3-[[3-[[5-(4-amino-2-oxopyrimidin-1-yl)-3-[[5-(4-amino-2-oxopyrimidin-1-yl)-3-[[5-(4-amino-2-oxopyrimidin-1-yl)-3-[[5-(6-aminopurin-9-yl)-3-[hydroxy-[[3-[hydroxy-[[3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-N-octadecylphosphonamidic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 5073.0840 | 312.4 |
[M+Na]+ | 5095.0659 | 312.5 |
[M-H]- | 5071.0694 | 312.5 |
[M+NH4]+ | 5090.1105 | 312.4 |
[M+K]+ | 5111.0399 | 312.4 |
[M+H-H2O]+ | 5055.0740 | 312.3 |
[M+HCOO]- | 5117.0749 | 312.4 |
[M+CH3COO]- | 5131.0906 | 312.4 |
[M+Na-2H]- | 5093.0514 | 312.6 |
[M]+ | 5072.0762 | 312.5 |
[M]- | 5072.0772 | 312.5 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.