CID 16186144
Ls-odns-rev-sa
Structural Information
- Molecular Formula
- C232H318N76O105P20S20
- SMILES
- CCCCCCCCCCCCCCCCOCC(COP(=S)(O)OCC1C(CC(O1)N2C=NC3=C2N=C(NC3=O)N)OP(=O)(OCC4C(CC(O4)N5C=NC6=C5N=C(NC6=O)N)OP(=S)(O)OCC7C(CC(O7)N8C=NC9=C(N=CN=C98)N)OP(=S)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=NC2=C(N=CN=C21)N)OP(=S)(O)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)OP(=S)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)OP(=S)(O)OCC1C(CC(O1)N1C=NC2=C(N=CN=C21)N)OP(=S)(O)OCC1C(CC(O1)N1C=NC2=C(N=CN=C21)N)OP(=S)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)OP(=S)(O)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)OP(=S)(O)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)OP(=S)(O)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)OP(=S)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)O)S)OCCCCCCCCCCCCCCCC
- InChI
- InChI=1S/C232H318N76O105P20S20/c1-9-11-13-15-17-19-21-23-25-27-29-31-33-35-43-352-71-114(353-44-36-34-32-30-28-26-24-22-20-18-16-14-12-10-2)72-354-414(332,434)355-74-136-129(59-172(389-136)303-102-260-183-198(303)270-218(241)277-211(183)317)408-430(348,450)373-91-153-133(63-176(393-153)307-106-264-187-202(307)274-222(245)281-215(187)321)412-432(350,452)369-87-149-128(58-171(388-149)301-100-258-181-192(239)250-96-254-196(181)301)407-429(347,449)371-89-151-132(62-175(391-151)306-105-263-186-201(306)273-221(244)280-214(186)320)411-431(349,451)368-86-148-125(55-168(387-148)298-97-255-178-189(236)247-93-251-193(178)298)404-426(344,446)365-83-145-124(54-167(384-145)297-70-113(8)209(315)288-232(297)331)403-423(341,443)370-88-150-130(60-173(390-150)304-103-261-184-199(304)271-219(242)278-212(184)318)409-424(342,444)358-76-138-116(46-159(377-138)289-40-37-155(233)266-224(289)323)395-416(334,436)357-75-137-117(47-160(376-137)290-41-38-156(234)267-225(290)324)396-417(335,437)361-80-142-123(53-166(381-142)296-69-112(7)208(314)287-231(296)330)402-422(340,442)366-84-146-126(56-169(385-146)299-98-256-179-190(237)248-94-252-194(179)299)405-427(345,447)367-85-147-127(57-170(386-147)300-99-257-180-191(238)249-95-253-195(180)300)406-428(346,448)372-90-152-134(64-177(392-152)308-107-265-188-203(308)275-223(246)282-216(188)322)413-433(351,453)374-92-154-131(61-174(394-154)305-104-262-185-200(305)272-220(243)279-213(185)319)410-425(343,445)359-77-139-118(48-161(378-139)291-42-39-157(235)268-226(291)325)397-418(336,438)360-79-141-120(50-163(380-141)293-66-109(4)205(311)284-228(293)327)399-420(338,440)363-82-144-122(52-165(383-144)295-68-111(6)207(313)286-230(295)329)401-421(339,441)364-81-143-121(51-164(382-143)294-67-110(5)206(312)285-229(294)328)400-419(337,439)362-78-140-119(49-162(379-140)292-65-108(3)204(310)283-227(292)326)398-415(333,435)356-73-135-115(309)45-158(375-135)302-101-259-182-197(302)269-217(240)276-210(182)316/h37-42,65-70,93-107,114-154,158-177,309H,9-36,43-64,71-92H2,1-8H3,(H,332,434)(H,333,435)(H,334,436)(H,335,437)(H,336,438)(H,337,439)(H,338,440)(H,339,441)(H,340,442)(H,341,443)(H,342,444)(H,343,445)(H,344,446)(H,345,447)(H,346,448)(H,347,449)(H,348,450)(H,349,451)(H,350,452)(H,351,453)(H2,233,266,323)(H2,234,267,324)(H2,235,268,325)(H2,236,247,251)(H2,237,248,252)(H2,238,249,253)(H2,239,250,254)(H,283,310,326)(H,284,311,327)(H,285,312,328)(H,286,313,329)(H,287,314,330)(H,288,315,331)(H3,240,269,276,316)(H3,241,270,277,317)(H3,242,271,278,318)(H3,243,272,279,319)(H3,244,273,280,320)(H3,245,274,281,321)(H3,246,275,282,322)
- InChIKey
- DVYBSYRKOXOLAZ-UHFFFAOYSA-N
- Compound name
- 1-[5-[[[2-[[[2-[[[2-[[[2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[2-[[[2-[[[2-[[[2-[[[2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[2-[[[2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[2,3-dihexadecoxypropoxy(hydroxy)phosphinothioyl]oxymethyl]oxolan-3-yl]oxy-sulfanylphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(6-aminopurin-9-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(6-aminopurin-9-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(6-aminopurin-9-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(6-aminopurin-9-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-4-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 7108.1118 | 311.5 |
[M+Na]+ | 7130.0937 | 311.5 |
[M-H]- | 7106.0972 | 311.5 |
[M+NH4]+ | 7125.1383 | 311.5 |
[M+K]+ | 7146.0677 | 311.5 |
[M+H-H2O]+ | 7090.1018 | 311.5 |
[M+HCOO]- | 7152.1027 | 311.5 |
[M+CH3COO]- | 7166.1184 | 311.5 |
[M+Na-2H]- | 7128.0792 | 311.5 |
[M]+ | 7107.1040 | 311.5 |
[M]- | 7107.1050 | 311.5 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.