CID 16197453

Octyldecylamino-p-tccgcttcttcctgccata

Structural Information

Molecular Formula
C200H274N59O119P19
SMILES
CCCCCCCCCCCCCCCCCCNP(=O)(O)OCC1C(CC(O1)N2C=C(C(=O)NC2=O)C)OP(=O)(O)OCC3C(CC(O3)N4C=CC(=NC4=O)N)OP(=O)(O)OCC5C(CC(O5)N6C=CC(=NC6=O)N)OP(=O)(O)OCC7C(CC(O7)N8C=NC9=C8N=C(NC9=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)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=CC(=NC1=O)N)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=CC(=NC1=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=CC(=NC1=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=CC(=NC1=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=NC2=C(N=CN=C21)N)OP(=O)(O)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)OP(=O)(O)OCC1C(CC(O1)N1C=NC2=C(N=CN=C21)N)O
InChI
InChI=1S/C200H274N59O119P19/c1-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-33-221-379(285,286)323-69-120-109(51-155(351-120)249-61-93(2)175(261)234-194(249)278)369-389(305,306)328-73-124-101(43-147(346-124)241-34-25-138(201)222-186(241)270)361-381(289,290)327-72-123-108(50-154(345-123)248-41-32-145(208)229-193(248)277)368-388(303,304)340-85-136-117(59-163(359-136)258-91-219-167-173(258)230-184(211)232-182(167)268)377-395(317,318)332-77-128-106(48-152(350-128)246-39-30-143(206)227-191(246)275)366-386(299,300)334-80-131-114(56-160(354-131)254-66-98(7)180(266)239-199(254)283)374-393(313,314)337-83-134-112(54-158(357-134)252-64-96(5)178(264)237-197(252)281)372-391(309,310)330-75-126-105(47-151(348-126)245-38-29-142(205)226-190(245)274)365-385(297,298)333-79-130-113(55-159(353-130)253-65-97(6)179(265)238-198(253)282)373-392(311,312)336-82-133-111(53-157(356-133)251-63-95(4)177(263)236-196(251)280)371-390(307,308)329-74-125-102(44-148(347-125)242-35-26-139(202)223-187(242)271)362-382(291,292)325-70-121-104(46-150(343-121)244-37-28-141(204)225-189(244)273)364-384(295,296)335-81-132-115(57-161(355-132)255-67-99(8)181(267)240-200(255)284)375-394(315,316)341-86-137-118(60-164(360-137)259-92-220-168-174(259)231-185(212)233-183(168)269)378-396(319,320)331-76-127-103(45-149(349-127)243-36-27-140(203)224-188(243)272)363-383(293,294)326-71-122-107(49-153(344-122)247-40-31-144(207)228-192(247)276)367-387(301,302)339-84-135-116(58-162(358-135)257-90-218-166-170(210)214-88-216-172(166)257)376-397(321,322)338-78-129-110(52-156(352-129)250-62-94(3)176(262)235-195(250)279)370-380(287,288)324-68-119-100(260)42-146(342-119)256-89-217-165-169(209)213-87-215-171(165)256/h25-32,34-41,61-67,87-92,100-137,146-164,260H,9-24,33,42-60,68-86H2,1-8H3,(H,287,288)(H,289,290)(H,291,292)(H,293,294)(H,295,296)(H,297,298)(H,299,300)(H,301,302)(H,303,304)(H,305,306)(H,307,308)(H,309,310)(H,311,312)(H,313,314)(H,315,316)(H,317,318)(H,319,320)(H,321,322)(H2,201,222,270)(H2,202,223,271)(H2,203,224,272)(H2,204,225,273)(H2,205,226,274)(H2,206,227,275)(H2,207,228,276)(H2,208,229,277)(H2,209,213,215)(H2,210,214,216)(H2,221,285,286)(H,234,261,278)(H,235,262,279)(H,236,263,280)(H,237,264,281)(H,238,265,282)(H,239,266,283)(H,240,267,284)(H3,211,230,232,268)(H3,212,231,233,269)
InChIKey
OUICLAVTTRTAEM-UHFFFAOYSA-N
Compound name
[3-[[3-[[3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[3-[[3-[[3-[[3-[[3-[[3-[[3-[[3-[[3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[5-(4-amino-2-oxopyrimidin-1-yl)-3-[[5-(4-amino-2-oxopyrimidin-1-yl)-3-[[5-(6-aminopurin-9-yl)-3-[[3-[[5-(6-aminopurin-9-yl)-3-hydroxyoxolan-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]oxyoxolan-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-(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]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]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]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(4-amino-2-oxopyrimidin-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-N-octadecylphosphonamidic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

5994.2217 Da
Monoisotopic Mass

-29.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 5995.2290 311.6
[M+Na]+ 6017.2109 311.6
[M-H]- 5993.2144 311.6
[M+NH4]+ 6012.2555 311.6
[M+K]+ 6033.1849 311.6
[M+H-H2O]+ 5977.2190 311.6
[M+HCOO]- 6039.2199 311.6
[M+CH3COO]- 6053.2356 311.6
[M+Na-2H]- 6015.1964 311.6
[M]+ 5994.2212 311.6
[M]- 5994.2222 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.