CID 16186441
G g g g g g g g g g g g g g g, phosphodiester
Structural Information
- Molecular Formula
- C150H195N75O130P28
- SMILES
- C1C(C(OC1N2C=NC3=C2N=C(NC3=O)N)COP(=O)(O)OP(=O)(O)OC4CC(OC4COP(=O)(O)OP(=O)(O)OC5CC(OC5COP(=O)(O)OP(=O)(O)OC6CC(OC6COP(=O)(O)OP(=O)(O)OC7CC(OC7COP(=O)(O)OP(=O)(O)OC8CC(OC8COP(=O)(O)OP(=O)(O)OC9CC(OC9COP(=O)(O)OP(=O)(O)OC1CC(OC1COP(=O)(O)OP(=O)(O)OC1CC(OC1COP(=O)(O)OP(=O)(O)OC1CC(OC1COP(=O)(O)OP(=O)(O)OC1CC(OC1COP(=O)(O)OP(=O)(O)OC1CC(OC1COP(=O)(O)OP(=O)(O)OC1CC(OC1COP(=O)(O)OP(=O)(O)OC1CC(OC1COP(=O)(O)OP(=O)(O)OC1CC(OC1CO)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=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=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=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)O
- InChI
- InChI=1S/C150H195N75O130P28/c151-136-181-106-91(121(228)196-136)166-31-211(106)76-1-46(227)62(314-76)17-299-356(243,244)342-371(273,274)329-48-3-78(213-33-168-93-108(213)183-138(153)198-123(93)230)316-64(48)19-301-358(247,248)344-373(277,278)331-50-5-80(215-35-170-95-110(215)185-140(155)200-125(95)232)318-66(50)21-303-360(251,252)346-375(281,282)333-52-7-82(217-37-172-97-112(217)187-142(157)202-127(97)234)320-68(52)23-305-362(255,256)348-377(285,286)335-54-9-84(219-39-174-99-114(219)189-144(159)204-129(99)236)322-70(54)25-307-364(259,260)350-379(289,290)337-56-11-86(221-41-176-101-116(221)191-146(161)206-131(101)238)324-72(56)27-309-366(263,264)352-381(293,294)339-58-13-88(223-43-178-103-118(223)193-148(163)208-133(103)240)326-74(58)29-311-368(267,268)354-383(297,298)341-60-15-90(225-45-180-105-120(225)195-150(165)210-135(105)242)327-75(60)30-312-369(269,270)355-382(295,296)340-59-14-89(224-44-179-104-119(224)194-149(164)209-134(104)241)325-73(59)28-310-367(265,266)353-380(291,292)338-57-12-87(222-42-177-102-117(222)192-147(162)207-132(102)239)323-71(57)26-308-365(261,262)351-378(287,288)336-55-10-85(220-40-175-100-115(220)190-145(160)205-130(100)237)321-69(55)24-306-363(257,258)349-376(283,284)334-53-8-83(218-38-173-98-113(218)188-143(158)203-128(98)235)319-67(53)22-304-361(253,254)347-374(279,280)332-51-6-81(216-36-171-96-111(216)186-141(156)201-126(96)233)317-65(51)20-302-359(249,250)345-372(275,276)330-49-4-79(214-34-169-94-109(214)184-139(154)199-124(94)231)315-63(49)18-300-357(245,246)343-370(271,272)328-47-2-77(313-61(47)16-226)212-32-167-92-107(212)182-137(152)197-122(92)229/h31-90,226-227H,1-30H2,(H,243,244)(H,245,246)(H,247,248)(H,249,250)(H,251,252)(H,253,254)(H,255,256)(H,257,258)(H,259,260)(H,261,262)(H,263,264)(H,265,266)(H,267,268)(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)(H3,151,181,196,228)(H3,152,182,197,229)(H3,153,183,198,230)(H3,154,184,199,231)(H3,155,185,200,232)(H3,156,186,201,233)(H3,157,187,202,234)(H3,158,188,203,235)(H3,159,189,204,236)(H3,160,190,205,237)(H3,161,191,206,238)(H3,162,192,207,239)(H3,163,193,208,240)(H3,164,194,209,241)(H3,165,195,210,242)
- InChIKey
- BXWBAHAJUBNKMS-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-[[[[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-[[[[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-[[[[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-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl] [[5-(2-amino-6-oxo-1H-purin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] hydrogen phosphate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 5994.3683 | 311.5 |
[M+Na]+ | 6016.3502 | 311.5 |
[M-H]- | 5992.3537 | 311.5 |
[M+NH4]+ | 6011.3948 | 311.5 |
[M+K]+ | 6032.3242 | 311.5 |
[M+H-H2O]+ | 5976.3583 | 311.5 |
[M+HCOO]- | 6038.3592 | 311.5 |
[M+CH3COO]- | 6052.3749 | 311.5 |
[M+Na-2H]- | 6014.3357 | 311.5 |
[M]+ | 5993.3605 | 311.5 |
[M]- | 5993.3615 | 311.5 |
Literature stripe
Patent stripe
No patent data available for this compound.