CID 16134084

5'-d(gggtgggttggtggg)-3'

Structural Information

Molecular Formula
C150H185N63O92P14
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(OC1CO)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)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)O
InChI
InChI=1S/C150H185N63O92P14/c1-50-20-199(147(231)195-121(50)216)85-7-56(293-308(239,240)265-26-71-57(8-86(279-71)200-21-51(2)122(217)196-148(200)232)294-309(241,242)269-33-78-66(17-96(286-78)211-47-170-107-118(211)181-144(159)192-133(107)228)303-317(257,258)274-36-81-64(15-94(289-81)209-45-168-105-116(209)179-142(157)190-131(105)226)300-314(251,252)268-29-74-58(9-87(282-74)201-22-52(3)123(218)197-149(201)233)295-310(243,244)270-32-77-65(16-95(285-77)210-46-169-106-117(210)180-143(158)191-132(106)227)302-315(253,254)272-31-76-60(11-90(284-76)205-41-164-101-112(205)175-138(153)186-127(101)222)297-306(235,236)263-25-70-54(215)5-84(278-70)203-39-162-99-110(203)173-136(151)184-125(99)220)72(280-85)27-266-312(247,248)298-63-14-93(208-44-167-104-115(208)178-141(156)189-130(104)225)290-82(63)37-275-319(261,262)305-68-19-98(213-49-172-109-120(213)183-146(161)194-135(109)230)291-83(68)38-276-318(259,260)304-67-18-97(212-48-171-108-119(212)182-145(160)193-134(108)229)287-79(67)34-271-311(245,246)296-59-10-88(202-23-53(4)124(219)198-150(202)234)281-73(59)28-267-313(249,250)299-62-13-92(207-43-166-103-114(207)177-140(155)188-129(103)224)288-80(62)35-273-316(255,256)301-61-12-91(206-42-165-102-113(206)176-139(154)187-128(102)223)283-75(61)30-264-307(237,238)292-55-6-89(277-69(55)24-214)204-40-163-100-111(204)174-137(152)185-126(100)221/h20-23,39-49,54-98,214-215H,5-19,24-38H2,1-4H3,(H,235,236)(H,237,238)(H,239,240)(H,241,242)(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,195,216,231)(H,196,217,232)(H,197,218,233)(H,198,219,234)(H3,151,173,184,220)(H3,152,174,185,221)(H3,153,175,186,222)(H3,154,176,187,223)(H3,155,177,188,224)(H3,156,178,189,225)(H3,157,179,190,226)(H3,158,180,191,227)(H3,159,181,192,228)(H3,160,182,193,229)(H3,161,183,194,230)
InChIKey
OUCXCBOHLJSXNW-UHFFFAOYSA-N
Compound name
[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-[[[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-(hydroxymethyl)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]-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]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl] [5-(2-amino-6-oxo-1H-purin-9-yl)-3-hydroxyoxolan-2-yl]methyl hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

4773.806 Da
Monoisotopic Mass

-32.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 4774.8133 311.5
[M+Na]+ 4796.7952 311.5
[M-H]- 4772.7987 311.5
[M+NH4]+ 4791.8398 311.5
[M+K]+ 4812.7692 311.5
[M+H-H2O]+ 4756.8033 311.5
[M+HCOO]- 4818.8042 311.5
[M+CH3COO]- 4832.8199 311.5
[M+Na-2H]- 4794.7807 311.6
[M]+ 4773.8055 311.5
[M]- 4773.8065 311.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.