CID 16186146
Ls-odns-rev-sa-8mis
Structural Information
- Molecular Formula
- C233H318N78O104P20S20
- 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=NC2=C(N=CN=C21)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/C233H318N78O104P20S20/c1-9-11-13-15-17-19-21-23-25-27-29-31-33-35-41-354-69-114(355-42-36-34-32-30-28-26-24-22-20-18-16-14-12-10-2)70-356-416(334,436)357-72-136-129(57-171(391-136)306-102-264-183-200(306)273-220(242)280-213(183)320)410-431(349,451)375-89-153-133(61-175(395-153)310-106-268-187-204(310)277-224(246)284-217(187)324)414-434(352,454)371-85-149-128(56-170(390-149)304-100-262-181-193(240)252-95-257-198(181)304)409-430(348,450)373-87-151-132(60-174(393-151)309-105-267-186-203(309)276-223(245)283-216(186)323)413-433(351,453)370-84-148-125(53-167(389-148)301-97-259-178-190(237)249-92-254-195(178)301)406-427(345,447)366-80-144-123(51-165(385-144)299-68-113(8)211(318)291-233(299)333)404-424(342,444)372-86-150-131(59-173(392-150)308-104-266-185-202(308)275-222(244)282-215(185)322)412-432(350,452)369-83-147-124(52-166(388-147)300-96-258-177-189(236)248-91-253-194(177)300)405-425(343,445)359-73-137-116(44-158(378-137)292-39-37-155(234)270-226(292)326)397-419(337,439)362-77-141-122(50-164(382-141)298-67-112(7)210(317)290-232(298)332)403-423(341,443)367-81-145-126(54-168(386-145)302-98-260-179-191(238)250-93-255-196(179)302)407-428(346,448)368-82-146-127(55-169(387-146)303-99-261-180-192(239)251-94-256-197(180)303)408-429(347,449)374-88-152-134(62-176(394-152)311-107-269-188-205(311)278-225(247)285-218(188)325)415-435(353,455)376-90-154-130(58-172(396-154)307-103-265-184-201(307)274-221(243)281-214(184)321)411-426(344,446)360-74-138-117(45-159(379-138)293-40-38-156(235)271-227(293)327)398-418(336,438)361-76-140-119(47-161(381-140)295-64-109(4)207(314)287-229(295)329)400-421(339,441)364-79-143-121(49-163(384-143)297-66-111(6)209(316)289-231(297)331)402-422(340,442)365-78-142-120(48-162(383-142)296-65-110(5)208(315)288-230(296)330)401-420(338,440)363-75-139-118(46-160(380-139)294-63-108(3)206(313)286-228(294)328)399-417(335,437)358-71-135-115(312)43-157(377-135)305-101-263-182-199(305)272-219(241)279-212(182)319/h37-40,63-68,91-107,114-154,157-176,312H,9-36,41-62,69-90H2,1-8H3,(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)(H,352,454)(H,353,455)(H2,234,270,326)(H2,235,271,327)(H2,236,248,253)(H2,237,249,254)(H2,238,250,255)(H2,239,251,256)(H2,240,252,257)(H,286,313,328)(H,287,314,329)(H,288,315,330)(H,289,316,331)(H,290,317,332)(H,291,318,333)(H3,241,272,279,319)(H3,242,273,280,320)(H3,243,274,281,321)(H3,244,275,282,322)(H3,245,276,283,323)(H3,246,277,284,324)(H3,247,278,285,325)
- InChIKey
- LACAWYZZGOCFNX-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-(6-aminopurin-9-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]+ | 7132.1230 | 311.5 |
[M+Na]+ | 7154.1049 | 311.5 |
[M-H]- | 7130.1084 | 311.5 |
[M+NH4]+ | 7149.1495 | 311.5 |
[M+K]+ | 7170.0789 | 311.5 |
[M+H-H2O]+ | 7114.1130 | 311.5 |
[M+HCOO]- | 7176.1139 | 311.5 |
[M+CH3COO]- | 7190.1296 | 311.5 |
[M+Na-2H]- | 7152.0904 | 311.5 |
[M]+ | 7131.1152 | 311.5 |
[M]- | 7131.1162 | 311.5 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.