CID 16130375
Rm-20 oligonucleotide-lipophlic group
Structural Information
- Molecular Formula
- C211H279N81O118P20
- SMILES
- CCCCCCCCCCCCCCCCOC(=O)CNP(=O)(O)OCC1C(CC(O1)N2C=NC3=C2N=C(NC3=O)N)OP(=O)(O)OCC4C(CC(O4)N5C=CC(=NC5=O)N)OP(=O)(O)OCC6C(CC(O6)N7C=NC8=C(N=CN=C87)N)OP(=O)(O)OCC9C(CC(O9)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=NC2=C(N=CN=C21)N)OP(=O)(O)OCC1C(CC(O1)N1C=NC2=C(N=CN=C21)N)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=NC2=C(N=CN=C21)N)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=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=NC2=C(N=CN=C21)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)OP(=O)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=NC2=C(N=CN=C21)N)O
- InChI
- InChI=1S/C211H279N81O118P20/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-32-351-162(294)53-253-411(311,312)352-57-116-105(48-157(382-116)288-88-248-169-186(288)261-198(225)266-193(169)297)401-421(331,332)357-62-121-101(39-148(377-121)278-30-23-140(217)259-208(278)307)397-417(323,324)363-67-126-106(43-152(383-126)283-83-243-164-175(220)231-77-237-181(164)283)402-425(339,340)362-66-125-104(42-151(381-125)281-55-94(3)192(296)272-211(281)310)400-420(329,330)356-61-120-100(38-147(376-120)277-29-22-139(216)258-207(277)306)396-416(321,322)364-68-127-107(44-153(384-127)284-84-244-165-176(221)232-78-238-182(165)284)403-426(341,342)367-71-130-110(47-156(387-130)287-87-247-168-179(224)235-81-241-185(168)287)406-429(347,348)369-73-132-112(50-159(389-132)290-90-250-171-188(290)263-200(227)268-195(171)299)409-424(337,338)360-64-123-102(40-149(379-123)279-31-24-141(218)260-209(279)308)398-418(325,326)366-70-129-108(45-154(386-129)285-85-245-166-177(222)233-79-239-183(166)285)404-427(343,344)368-72-131-111(49-158(388-131)289-89-249-170-187(289)262-199(226)267-194(170)298)408-423(335,336)359-63-122-98(36-145(378-122)275-27-20-137(214)256-205(275)304)394-414(317,318)361-65-124-103(41-150(380-124)280-54-93(2)191(295)271-210(280)309)399-419(327,328)355-60-119-97(35-144(375-119)274-26-19-136(213)255-204(274)303)393-413(315,316)354-59-118-99(37-146(374-118)276-28-21-138(215)257-206(276)305)395-415(319,320)365-69-128-109(46-155(385-128)286-86-246-167-178(223)234-80-240-184(167)286)405-428(345,346)370-74-133-114(52-161(390-133)292-92-252-173-190(292)265-202(229)270-197(173)301)410-430(349,350)371-75-134-113(51-160(391-134)291-91-251-172-189(291)264-201(228)269-196(172)300)407-422(333,334)358-58-117-96(34-143(373-117)273-25-18-135(212)254-203(273)302)392-412(313,314)353-56-115-95(293)33-142(372-115)282-82-242-163-174(219)230-76-236-180(163)282/h18-31,54-55,76-92,95-134,142-161,293H,4-17,32-53,56-75H2,1-3H3,(H,313,314)(H,315,316)(H,317,318)(H,319,320)(H,321,322)(H,323,324)(H,325,326)(H,327,328)(H,329,330)(H,331,332)(H,333,334)(H,335,336)(H,337,338)(H,339,340)(H,341,342)(H,343,344)(H,345,346)(H,347,348)(H,349,350)(H2,212,254,302)(H2,213,255,303)(H2,214,256,304)(H2,215,257,305)(H2,216,258,306)(H2,217,259,307)(H2,218,260,308)(H2,219,230,236)(H2,220,231,237)(H2,221,232,238)(H2,222,233,239)(H2,223,234,240)(H2,224,235,241)(H2,253,311,312)(H,271,295,309)(H,272,296,310)(H3,225,261,266,297)(H3,226,262,267,298)(H3,227,263,268,299)(H3,228,264,269,300)(H3,229,265,270,301)
- InChIKey
- UETDGAXZMNNJJZ-UHFFFAOYSA-N
- Compound name
- [5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[3-[[3-[[3-[[3-[[3-[[3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[3-[[3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[3-[[3-[[3-[[3-[[3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[5-(4-amino-2-oxopyrimidin-1-yl)-3-[[5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-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]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-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(6-aminopurin-9-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-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(6-aminopurin-9-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-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-N-(2-hexadecoxy-2-oxoethyl)phosphonamidic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 6455.3143 | 311.5 |
[M+Na]+ | 6477.2962 | 311.5 |
[M-H]- | 6453.2997 | 311.5 |
[M+NH4]+ | 6472.3408 | 311.5 |
[M+K]+ | 6493.2702 | 311.5 |
[M+H-H2O]+ | 6437.3043 | 311.5 |
[M+HCOO]- | 6499.3052 | 311.5 |
[M+CH3COO]- | 6513.3209 | 311.5 |
[M+Na-2H]- | 6475.2817 | 311.5 |
[M]+ | 6454.3065 | 311.5 |
[M]- | 6454.3075 | 311.5 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.