CID 16130812
G-g-g-g-t-g-g-g-t-g-g-g-t-g-g-g-t-c
Structural Information
- Molecular Formula
- C179H222N76O113P18
- 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)OC1CC(OC1COP(=O)(O)OC1CC(OC1COP(=O)(O)OC1CC(OC1COP(=O)(O)O)N1C=NC2=C1N=C(NC2=O)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=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=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=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)O
- InChI
- InChI=1S/C179H222N76O113P18/c1-60-25-239(176(275)234-145(60)257)102-8-65(352-370(282,283)317-29-82-64(256)7-101(334-82)238-6-5-100(180)207-175(238)274)84(335-102)31-318-375(292,293)357-70-13-107(244-48-195-120-133(244)209-163(182)222-150(120)262)344-92(70)39-326-383(308,309)365-78-21-115(252-56-203-128-141(252)217-171(190)230-158(128)270)348-96(78)43-330-379(300,301)361-74-17-111(248-52-199-124-137(248)213-167(186)226-154(124)266)340-88(74)35-322-371(284,285)353-66-9-103(240-26-61(2)146(258)235-177(240)276)336-85(66)32-319-376(294,295)358-71-14-108(245-49-196-121-134(245)210-164(183)223-151(121)263)345-93(71)40-327-384(310,311)366-79-22-116(253-57-204-129-142(253)218-172(191)231-159(129)271)349-97(79)44-331-380(302,303)362-75-18-112(249-53-200-125-138(249)214-168(187)227-155(125)267)341-89(75)36-323-372(286,287)354-67-10-104(241-27-62(3)147(259)236-178(241)277)337-86(67)33-320-377(296,297)359-72-15-109(246-50-197-122-135(246)211-165(184)224-152(122)264)346-94(72)41-328-385(312,313)367-80-23-117(254-58-205-130-143(254)219-173(192)232-160(130)272)350-98(80)45-332-381(304,305)363-76-19-113(250-54-201-126-139(250)215-169(188)228-156(126)268)342-90(76)37-324-373(288,289)355-68-11-105(242-28-63(4)148(260)237-179(242)278)338-87(68)34-321-378(298,299)360-73-16-110(247-51-198-123-136(247)212-166(185)225-153(123)265)347-95(73)42-329-386(314,315)368-81-24-118(255-59-206-131-144(255)220-174(193)233-161(131)273)351-99(81)46-333-382(306,307)364-77-20-114(251-55-202-127-140(251)216-170(189)229-157(127)269)343-91(77)38-325-374(290,291)356-69-12-106(339-83(69)30-316-369(279,280)281)243-47-194-119-132(243)208-162(181)221-149(119)261/h5-6,25-28,47-59,64-99,101-118,256H,7-24,29-46H2,1-4H3,(H,282,283)(H,284,285)(H,286,287)(H,288,289)(H,290,291)(H,292,293)(H,294,295)(H,296,297)(H,298,299)(H,300,301)(H,302,303)(H,304,305)(H,306,307)(H,308,309)(H,310,311)(H,312,313)(H,314,315)(H2,180,207,274)(H,234,257,275)(H,235,258,276)(H,236,259,277)(H,237,260,278)(H2,279,280,281)(H3,181,208,221,261)(H3,182,209,222,262)(H3,183,210,223,263)(H3,184,211,224,264)(H3,185,212,225,265)(H3,186,213,226,266)(H3,187,214,227,267)(H3,188,215,228,268)(H3,189,216,229,269)(H3,190,217,230,270)(H3,191,218,231,271)(H3,192,219,232,272)(H3,193,220,233,273)
- InChIKey
- INMBYAICGZWVJN-UHFFFAOYSA-N
- Compound name
- [5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-(phosphonooxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl] [3-[[5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl hydrogen phosphate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 5801.9313 | 311.5 |
[M+Na]+ | 5823.9132 | 311.5 |
[M-H]- | 5799.9167 | 311.5 |
[M+NH4]+ | 5818.9578 | 311.5 |
[M+K]+ | 5839.8872 | 311.5 |
[M+H-H2O]+ | 5783.9213 | 311.5 |
[M+HCOO]- | 5845.9222 | 311.5 |
[M+CH3COO]- | 5859.9379 | 311.5 |
[M+Na-2H]- | 5821.8987 | 311.5 |
[M]+ | 5800.9235 | 311.5 |
[M]- | 5800.9245 | 311.5 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.