CID 16130379

16t oligonucleotide group

Structural Information

Molecular Formula
C178H245N33O114P16
SMILES
CCCCCCCCCCCCCCCCOC(=O)CNP(=O)(O)OCC1C(CC(O1)N2C=C(C(=O)NC2=O)C)OP(=O)(O)OCC3C(CC(O3)N4C=C(C(=O)NC4=O)C)OP(=O)(O)OCC5C(CC(O5)N6C=C(C(=O)NC6=O)C)OP(=O)(O)OCC7C(CC(O7)N8C=C(C(=O)NC8=O)C)OP(=O)(O)OCC9C(CC(O9)N1C=C(C(=O)NC1=O)C)OP(=O)(O)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)OP(=O)(O)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)OP(=O)(O)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)OP(=O)(O)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)OP(=O)(O)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)OP(=O)(O)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)OP(=O)(O)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)OP(=O)(O)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)OP(=O)(O)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)OP(=O)(O)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)OP(=O)(O)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)O
InChI
InChI=1S/C178H245N33O114P16/c1-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-278-146(213)49-179-326(246,247)279-67-115-99(34-131(296-115)197-51-83(3)148(215)181-164(197)231)311-328(250,251)281-69-117-101(36-133(298-117)199-53-85(5)150(217)183-166(199)233)313-330(254,255)283-71-119-103(38-135(300-119)201-55-87(7)152(219)185-168(201)235)315-332(258,259)285-73-121-105(40-137(302-121)203-57-89(9)154(221)187-170(203)237)317-334(262,263)287-75-123-107(42-139(304-123)205-59-91(11)156(223)189-172(205)239)319-336(266,267)289-77-125-109(44-141(306-125)207-61-93(13)158(225)191-174(207)241)321-338(270,271)291-79-127-111(46-143(308-127)209-63-95(15)160(227)193-176(209)243)323-340(274,275)293-81-129-113(48-145(310-129)211-65-97(17)162(229)195-178(211)245)325-341(276,277)294-80-128-112(47-144(309-128)210-64-96(16)161(228)194-177(210)244)324-339(272,273)292-78-126-110(45-142(307-126)208-62-94(14)159(226)192-175(208)242)322-337(268,269)290-76-124-108(43-140(305-124)206-60-92(12)157(224)190-173(206)240)320-335(264,265)288-74-122-106(41-138(303-122)204-58-90(10)155(222)188-171(204)238)318-333(260,261)286-72-120-104(39-136(301-120)202-56-88(8)153(220)186-169(202)236)316-331(256,257)284-70-118-102(37-134(299-118)200-54-86(6)151(218)184-167(200)234)314-329(252,253)282-68-116-100(35-132(297-116)198-52-84(4)149(216)182-165(198)232)312-327(248,249)280-66-114-98(212)33-130(295-114)196-50-82(2)147(214)180-163(196)230/h50-65,98-145,212H,18-49,66-81H2,1-17H3,(H,248,249)(H,250,251)(H,252,253)(H,254,255)(H,256,257)(H,258,259)(H,260,261)(H,262,263)(H,264,265)(H,266,267)(H,268,269)(H,270,271)(H,272,273)(H,274,275)(H,276,277)(H2,179,246,247)(H,180,214,230)(H,181,215,231)(H,182,216,232)(H,183,217,233)(H,184,218,234)(H,185,219,235)(H,186,220,236)(H,187,221,237)(H,188,222,238)(H,189,223,239)(H,190,224,240)(H,191,225,241)(H,192,226,242)(H,193,227,243)(H,194,228,244)(H,195,229,245)
InChIKey
IXWHMRSLUVOCBP-UHFFFAOYSA-N
Compound name
N-(2-hexadecoxy-2-oxoethyl)-[[3-[hydroxy-[[3-[hydroxy-[[3-[hydroxy-[[3-[hydroxy-[[3-[hydroxy-[[3-[hydroxy-[[3-[hydroxy-[[3-[hydroxy-[[3-[hydroxy-[[3-[hydroxy-[[3-[hydroxy-[[3-[hydroxy-[[3-[hydroxy-[[3-[hydroxy-[[3-[hydroxy-[[3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphonamidic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

5164.019 Da
Monoisotopic Mass

-18.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 5165.0263 314.7
[M+Na]+ 5187.0082 314.9
[M-H]- 5163.0117 314.9
[M+NH4]+ 5182.0528 314.8
[M+K]+ 5202.9822 314.6
[M+H-H2O]+ 5147.0163 314.4
[M+HCOO]- 5209.0172 314.7
[M+CH3COO]- 5223.0329 314.6
[M+Na-2H]- 5184.9937 314.8
[M]+ 5164.0185 314.9
[M]- 5164.0195 314.9
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.