CID 16130276

Dimethoxytrityl-tgggaggtgggtctg

Structural Information

Molecular Formula
C170H204N61O96P15
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)OC(C1=CC=CC=C1)(C1=CC=C(C=C1)OC)C1=CC=C(C=C1)OC)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=NC2=C(N=CN=C21)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=CC(=NC1=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)O
InChI
InChI=1S/C170H204N61O96P15/c1-67-37-218(166(247)213-143(67)233)109-24-78(314-328(251,252)283-41-91-76(232)22-107(298-91)223-58-185-123-134(223)195-156(173)204-147(123)237)93(300-109)43-285-329(253,254)313-77-23-108(217-21-20-106(171)194-165(217)246)299-92(77)42-284-330(255,256)315-79-25-110(219-38-68(2)144(234)214-167(219)248)301-94(79)44-286-333(261,262)319-83-29-114(224-59-186-124-135(224)196-157(174)205-148(124)238)309-101(83)51-293-340(275,276)325-89-35-120(230-65-192-130-141(230)202-163(180)211-154(130)244)311-103(89)53-295-337(269,270)322-85-31-116(226-61-188-126-137(226)198-159(176)207-150(126)240)305-97(85)47-289-331(257,258)316-80-26-111(220-39-69(3)145(235)215-168(220)249)302-95(80)45-287-334(263,264)320-84-30-115(225-60-187-125-136(225)197-158(175)206-149(125)239)308-100(84)50-292-339(273,274)324-88-34-119(229-64-191-129-140(229)201-162(179)210-153(129)243)307-99(88)49-291-335(265,266)318-82-28-113(222-57-184-122-132(172)182-56-183-133(122)222)304-96(82)46-288-336(267,268)321-87-33-118(228-63-190-128-139(228)200-161(178)209-152(128)242)310-102(87)52-294-341(277,278)326-90-36-121(231-66-193-131-142(231)203-164(181)212-155(131)245)312-104(90)54-296-338(271,272)323-86-32-117(227-62-189-127-138(227)199-160(177)208-151(127)241)306-98(86)48-290-332(259,260)317-81-27-112(221-40-70(4)146(236)216-169(221)250)303-105(81)55-297-342(279,280)327-170(71-10-8-7-9-11-71,72-12-16-74(281-5)17-13-72)73-14-18-75(282-6)19-15-73/h7-21,37-40,56-66,76-105,107-121,232H,22-36,41-55H2,1-6H3,(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)(H2,171,194,246)(H2,172,182,183)(H,213,233,247)(H,214,234,248)(H,215,235,249)(H,216,236,250)(H3,173,195,204,237)(H3,174,196,205,238)(H3,175,197,206,239)(H3,176,198,207,240)(H3,177,199,208,241)(H3,178,200,209,242)(H3,179,201,210,243)(H3,180,202,211,244)(H3,181,203,212,245)
InChIKey
WLFMHOXVETWVQI-UHFFFAOYSA-N
Compound name
[3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[3-[[3-[[3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl [bis(4-methoxyphenyl)-phenylmethyl] hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

6
Patents

5099.902 Da
Monoisotopic Mass

-27.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 5100.9093 311.5
[M+Na]+ 5122.8912 311.6
[M-H]- 5098.8947 311.5
[M+NH4]+ 5117.9358 311.5
[M+K]+ 5138.8652 311.5
[M+H-H2O]+ 5082.8993 311.5
[M+HCOO]- 5144.9002 311.5
[M+CH3COO]- 5158.9159 311.5
[M+Na-2H]- 5120.8767 311.6
[M]+ 5099.9015 311.6
[M]- 5099.9025 311.6
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.