CID 16197644
Dmtr-tgggaggagggtctg-3'
Structural Information
- Molecular Formula
- C170H203N64O94P15
- SMILES
- CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)OC3CC(OC3COP(=O)(O)OC4CC(OC4COP(=O)(O)OC5CC(OC5COP(=O)(O)OC6CC(OC6COP(=O)(O)OC7CC(OC7COP(=O)(O)OC8CC(OC8COP(=O)(O)OC9CC(OC9COP(=O)(O)OC1CC(OC1COP(=O)(O)OC1CC(OC1COP(=O)(O)OC1CC(OC1COP(=O)(O)OC1CC(OC1COP(=O)(O)OC1CC(OC1COP(=O)(O)OC1CC(OC1COP(=O)(O)OC(C1=CC=CC=C1)(C1=CC=C(C=C1)OC)C1=CC=C(C=C1)OC)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=NC2=C(N=CN=C21)N)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=NC2=C1N=C(NC2=O)N)N1C=C(C(=O)NC1=O)C)N1C=CC(=NC1=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)O
- InChI
- InChI=1S/C170H203N64O94P15/c1-67-36-221(167(249)217-145(67)236)108-23-77(315-329(252,253)284-39-90-75(235)21-106(299-90)226-58-189-123-136(226)199-157(174)208-148(123)239)92(301-108)41-286-330(254,255)314-76-22-107(220-20-19-105(171)198-166(220)248)300-91(76)40-285-331(256,257)316-78-24-109(222-37-68(2)146(237)218-168(222)250)302-93(78)42-287-333(260,261)320-82-28-113(227-59-190-124-137(227)200-158(175)209-149(124)240)309-99(82)48-293-339(272,273)326-88-34-119(233-65-196-130-143(233)206-164(181)215-155(130)246)313-103(88)52-297-341(276,277)325-87-33-118(232-64-195-129-142(232)205-163(180)214-154(129)245)308-98(87)47-292-335(264,265)319-81-27-112(225-57-188-122-133(173)184-55-186-135(122)225)304-94(81)43-288-336(266,267)321-84-30-115(229-61-192-126-139(229)202-160(177)211-151(126)242)310-100(84)49-294-340(274,275)324-86-32-117(231-63-194-128-141(231)204-162(179)213-153(128)244)307-97(86)46-291-334(262,263)318-80-26-111(224-56-187-121-132(172)183-54-185-134(121)224)305-95(80)44-289-337(268,269)322-85-31-116(230-62-193-127-140(230)203-161(178)212-152(127)243)311-101(85)50-295-342(278,279)327-89-35-120(234-66-197-131-144(234)207-165(182)216-156(131)247)312-102(89)51-296-338(270,271)323-83-29-114(228-60-191-125-138(228)201-159(176)210-150(125)241)306-96(83)45-290-332(258,259)317-79-25-110(223-38-69(3)147(238)219-169(223)251)303-104(79)53-298-343(280,281)328-170(70-9-7-6-8-10-70,71-11-15-73(282-4)16-12-71)72-13-17-74(283-5)18-14-72/h6-20,36-38,54-66,75-104,106-120,235H,21-35,39-53H2,1-5H3,(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)(H,274,275)(H,276,277)(H,278,279)(H,280,281)(H2,171,198,248)(H2,172,183,185)(H2,173,184,186)(H,217,236,249)(H,218,237,250)(H,219,238,251)(H3,174,199,208,239)(H3,175,200,209,240)(H3,176,201,210,241)(H3,177,202,211,242)(H3,178,203,212,243)(H3,179,204,213,244)(H3,180,205,214,245)(H3,181,206,215,246)(H3,182,207,216,247)
- InChIKey
- HSOWAUSYCVBVEF-UHFFFAOYSA-N
- Compound name
- [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-[[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-[[3-[[3-[[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]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]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(6-aminopurin-9-yl)oxolan-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]methyl [bis(4-methoxyphenyl)-phenylmethyl] hydrogen phosphate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 5109.9209 | 311.5 |
[M+Na]+ | 5131.9028 | 311.5 |
[M-H]- | 5107.9063 | 311.5 |
[M+NH4]+ | 5126.9474 | 311.5 |
[M+K]+ | 5147.8768 | 311.5 |
[M+H-H2O]+ | 5091.9109 | 311.5 |
[M+HCOO]- | 5153.9118 | 311.5 |
[M+CH3COO]- | 5167.9275 | 311.5 |
[M+Na-2H]- | 5129.8883 | 311.5 |
[M]+ | 5108.9131 | 311.5 |
[M]- | 5108.9141 | 311.5 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.