CID 16131500
Dgtggtgggtgggtgggg
Structural Information
- Molecular Formula
- C170H210N73O107P17
- SMILES
- CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)OC3CC(OC3COP(=O)(O)O)N4C=NC5=C4N=C(NC5=O)N)OP(=O)(O)OCC6C(CC(O6)N7C=NC8=C7N=C(NC8=O)N)OP(=O)(O)OCC9C(CC(O9)N1C=NC2=C1N=C(NC2=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)OP(=O)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)OP(=O)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)OP(=O)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)O
- InChI
- InChI=1S/C170H210N73O107P17/c1-56-22-227(167(262)223-137(56)245)95-6-61(79(319-95)28-303-357(279,280)339-65-10-99(323-78(65)27-301-351(266,267)268)232-44-185-112-125(232)198-155(172)211-142(112)250)335-353(271,272)307-33-84-70(15-104(325-84)237-49-190-117-130(237)203-160(177)216-147(117)255)344-362(289,290)312-37-88-67(12-101(329-88)234-46-187-114-127(234)200-157(174)213-144(114)252)341-358(281,282)304-29-80-62(7-96(320-80)228-23-57(2)138(246)224-168(228)263)336-355(275,276)309-35-86-72(17-106(327-86)239-51-192-119-132(239)205-162(179)218-149(119)257)346-364(293,294)316-41-92-75(20-109(333-92)242-54-195-122-135(242)208-165(182)221-152(122)260)349-367(299,300)314-39-90-69(14-103(331-90)236-48-189-116-129(236)202-159(176)215-146(116)254)343-360(285,286)306-31-82-64(9-98(322-82)230-25-59(4)140(248)226-170(230)265)338-356(277,278)310-36-87-73(18-107(328-87)240-52-193-120-133(240)206-163(180)219-150(120)258)347-365(295,296)317-42-93-76(21-110(334-93)243-55-196-123-136(243)209-166(183)222-153(123)261)350-366(297,298)313-38-89-68(13-102(330-89)235-47-188-115-128(235)201-158(175)214-145(115)253)342-359(283,284)305-30-81-63(8-97(321-81)229-24-58(3)139(247)225-169(229)264)337-354(273,274)308-34-85-71(16-105(326-85)238-50-191-118-131(238)204-161(178)217-148(118)256)345-363(291,292)315-40-91-74(19-108(332-91)241-53-194-121-134(241)207-164(181)220-151(121)259)348-361(287,288)311-32-83-66(11-100(324-83)233-45-186-113-126(233)199-156(173)212-143(113)251)340-352(269,270)302-26-77-60(244)5-94(318-77)231-43-184-111-124(231)197-154(171)210-141(111)249/h22-25,43-55,60-110,244H,5-21,26-42H2,1-4H3,(H,269,270)(H,271,272)(H,273,274)(H,275,276)(H,277,278)(H,279,280)(H,281,282)(H,283,284)(H,285,286)(H,287,288)(H,289,290)(H,291,292)(H,293,294)(H,295,296)(H,297,298)(H,299,300)(H,223,245,262)(H,224,246,263)(H,225,247,264)(H,226,248,265)(H2,266,267,268)(H3,171,197,210,249)(H3,172,198,211,250)(H3,173,199,212,251)(H3,174,200,213,252)(H3,175,201,214,253)(H3,176,202,215,254)(H3,177,203,216,255)(H3,178,204,217,256)(H3,179,205,218,257)(H3,180,206,219,258)(H3,181,207,220,259)(H3,182,208,221,260)(H3,183,209,222,261)
- InChIKey
- JNBLCFMXQYUYRF-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-[[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-[[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-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-hydroxyoxolan-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]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]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]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl [5-(2-amino-6-oxo-1H-purin-9-yl)-2-(phosphonooxymethyl)oxolan-3-yl] hydrogen phosphate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 5512.8847 | 311.5 |
[M+Na]+ | 5534.8666 | 311.5 |
[M-H]- | 5510.8701 | 311.5 |
[M+NH4]+ | 5529.9112 | 311.5 |
[M+K]+ | 5550.8406 | 311.5 |
[M+H-H2O]+ | 5494.8747 | 311.5 |
[M+HCOO]- | 5556.8756 | 311.5 |
[M+CH3COO]- | 5570.8913 | 311.5 |
[M+Na-2H]- | 5532.8521 | 311.5 |
[M]+ | 5511.8769 | 311.5 |
[M]- | 5511.8779 | 311.5 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.