CID 16197577
S-dc20
Structural Information
- Molecular Formula
- C180H241N60O99P19S19
- SMILES
- C1C(C(OC1N2C=CC(=NC2=O)N)COP(=S)(O)OC3CC(OC3COP(=S)(O)OC4CC(OC4COP(=S)(O)OC5CC(OC5COP(=S)(O)OC6CC(OC6COP(=S)(O)OC7CC(OC7COP(=S)(O)OC8CC(OC8COP(=S)(O)OC9CC(OC9COP(=S)(O)OC1CC(OC1COP(=O)(OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1CO)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)S)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)O
- InChI
- InChI=1S/C180H241N60O99P19S19/c181-121-1-21-221(161(243)201-121)141-41-81(242)102(302-141)62-282-340(263,359)322-83-43-143(223-23-3-123(183)203-163(223)245)304-104(83)64-284-342(265,361)324-85-45-145(225-25-5-125(185)205-165(225)247)306-106(85)66-286-344(267,363)326-87-47-147(227-27-7-127(187)207-167(227)249)308-108(87)68-288-346(269,365)328-89-49-149(229-29-9-129(189)209-169(229)251)310-110(89)70-290-348(271,367)330-91-51-151(231-31-11-131(191)211-171(231)253)312-112(91)72-292-350(273,369)332-93-53-153(233-33-13-133(193)213-173(233)255)314-114(93)74-294-352(275,371)334-95-55-155(235-35-15-135(195)215-175(235)257)316-116(95)76-296-354(277,373)336-97-57-157(237-37-17-137(197)217-177(237)259)318-118(97)78-298-356(279,375)338-99-59-159(239-39-19-139(199)219-179(239)261)320-120(99)80-300-358(281,377)339-100-60-160(240-40-20-140(200)220-180(240)262)319-119(100)79-299-357(280,376)337-98-58-158(238-38-18-138(198)218-178(238)260)317-117(98)77-297-355(278,374)335-96-56-156(236-36-16-136(196)216-176(236)258)315-115(96)75-295-353(276,372)333-94-54-154(234-34-14-134(194)214-174(234)256)313-113(94)73-293-351(274,370)331-92-52-152(232-32-12-132(192)212-172(232)254)311-111(92)71-291-349(272,368)329-90-50-150(230-30-10-130(190)210-170(230)252)309-109(90)69-289-347(270,366)327-88-48-148(228-28-8-128(188)208-168(228)250)307-107(88)67-287-345(268,364)325-86-46-146(226-26-6-126(186)206-166(226)248)305-105(86)65-285-343(266,362)323-84-44-144(224-24-4-124(184)204-164(224)246)303-103(84)63-283-341(264,360)321-82-42-142(301-101(82)61-241)222-22-2-122(182)202-162(222)244/h1-40,81-120,141-160,241-242H,41-80H2,(H,263,359)(H,264,360)(H,265,361)(H,266,362)(H,267,363)(H,268,364)(H,269,365)(H,270,366)(H,271,367)(H,272,368)(H,273,369)(H,274,370)(H,275,371)(H,276,372)(H,277,373)(H,278,374)(H,279,375)(H,280,376)(H,281,377)(H2,181,201,243)(H2,182,202,244)(H2,183,203,245)(H2,184,204,246)(H2,185,205,247)(H2,186,206,248)(H2,187,207,249)(H2,188,208,250)(H2,189,209,251)(H2,190,210,252)(H2,191,211,253)(H2,192,212,254)(H2,193,213,255)(H2,194,214,256)(H2,195,215,257)(H2,196,216,258)(H2,197,217,259)(H2,198,218,260)(H2,199,219,261)(H2,200,220,262)
- InChIKey
- MBDGVWFFFOSXTQ-UHFFFAOYSA-N
- Compound name
- 4-amino-1-[5-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-sulfanylphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-4-hydroxyoxolan-2-yl]pyrimidin-2-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 6023.5449 | 311.5 |
[M+Na]+ | 6045.5268 | 311.5 |
[M-H]- | 6021.5303 | 311.5 |
[M+NH4]+ | 6040.5714 | 311.5 |
[M+K]+ | 6061.5008 | 311.5 |
[M+H-H2O]+ | 6005.5349 | 311.5 |
[M+HCOO]- | 6067.5358 | 311.5 |
[M+CH3COO]- | 6081.5515 | 311.5 |
[M+Na-2H]- | 6043.5123 | 311.5 |
[M]+ | 6022.5371 | 311.5 |
[M]- | 6022.5381 | 311.5 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.