CID 16197454

Oligo-dt16

Structural Information

Molecular Formula
C160H210N32O113P16
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)O)N1C=C(C(=O)NC1=O)C)N1C=C(C(=O)NC1=O)C)N1C=C(C(=O)NC1=O)C)N1C=C(C(=O)NC1=O)C)N1C=C(C(=O)NC1=O)C)N1C=C(C(=O)NC1=O)C)N1C=C(C(=O)NC1=O)C)N1C=C(C(=O)NC1=O)C)N1C=C(C(=O)NC1=O)C)N1C=C(C(=O)NC1=O)C)N1C=C(C(=O)NC1=O)C)N1C=C(C(=O)NC1=O)C)N1C=C(C(=O)NC1=O)C)N1C=C(C(=O)NC1=O)C)N1C=C(C(=O)NC1=O)C)O
InChI
InChI=1S/C160H210N32O113P16/c1-65-33-177(145(210)161-129(65)194)113-17-81(193)97(275-113)49-260-307(229,230)292-83-19-115(179-35-67(3)131(196)163-147(179)212)277-99(83)51-262-309(233,234)294-85-21-117(181-37-69(5)133(198)165-149(181)214)279-101(85)53-264-311(237,238)296-87-23-119(183-39-71(7)135(200)167-151(183)216)281-103(87)55-266-313(241,242)298-89-25-121(185-41-73(9)137(202)169-153(185)218)283-105(89)57-268-315(245,246)300-91-27-123(187-43-75(11)139(204)171-155(187)220)285-107(91)59-270-317(249,250)302-93-29-125(189-45-77(13)141(206)173-157(189)222)287-109(93)61-272-319(253,254)304-95-31-127(191-47-79(15)143(208)175-159(191)224)289-111(95)63-274-321(257,258)305-96-32-128(192-48-80(16)144(209)176-160(192)225)290-112(96)64-273-320(255,256)303-94-30-126(190-46-78(14)142(207)174-158(190)223)288-110(94)62-271-318(251,252)301-92-28-124(188-44-76(12)140(205)172-156(188)221)286-108(92)60-269-316(247,248)299-90-26-122(186-42-74(10)138(203)170-154(186)219)284-106(90)58-267-314(243,244)297-88-24-120(184-40-72(8)136(201)168-152(184)217)282-104(88)56-265-312(239,240)295-86-22-118(182-38-70(6)134(199)166-150(182)215)280-102(86)54-263-310(235,236)293-84-20-116(180-36-68(4)132(197)164-148(180)213)278-100(84)52-261-308(231,232)291-82-18-114(276-98(82)50-259-306(226,227)228)178-34-66(2)130(195)162-146(178)211/h33-48,81-128,193H,17-32,49-64H2,1-16H3,(H,229,230)(H,231,232)(H,233,234)(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,161,194,210)(H,162,195,211)(H,163,196,212)(H,164,197,213)(H,165,198,214)(H,166,199,215)(H,167,200,216)(H,168,201,217)(H,169,202,218)(H,170,203,219)(H,171,204,220)(H,172,205,221)(H,173,206,222)(H,174,207,223)(H,175,208,224)(H,176,209,225)(H2,226,227,228)
InChIKey
PYLBSHCVISOMDK-UHFFFAOYSA-N
Compound name
[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]methyl [5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2-(phosphonooxymethyl)oxolan-3-yl] hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

4882.747 Da
Monoisotopic Mass

-26.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 4883.7543 314.8
[M+Na]+ 4905.7362 315.1
[M-H]- 4881.7397 315.0
[M+NH4]+ 4900.7808 314.9
[M+K]+ 4921.7102 314.7
[M+H-H2O]+ 4865.7443 314.5
[M+HCOO]- 4927.7452 314.8
[M+CH3COO]- 4941.7609 314.7
[M+Na-2H]- 4903.7217 314.9
[M]+ 4882.7465 315.0
[M]- 4882.7475 315.0
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.