CID 16186145
Ls-odns-rev-sa-sen
Structural Information
- Molecular Formula
- C228H316N74O101P20S20
- SMILES
- CCCCCCCCCCCCCCCCOCC(COP(=S)(O)OCC1C(CC(O1)N2C=CC(=NC2=O)N)OP(=S)(O)OCC3C(CC(O3)N4C=CC(=NC4=O)N)OP(=S)(O)OCC5C(CC(O5)N6C=C(C(=O)NC6=O)C)OP(=S)(O)OCC7C(CC(O7)N8C=CC(=NC8=O)N)OP(=S)(O)OCC9C(CC(O9)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=CC(=NC1=O)N)OP(=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=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=C(C(=O)NC1=O)C)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=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=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=C(N=CN=C21)N)OP(=S)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)O)S)OCCCCCCCCCCCCCCCC
- InChI
- InChI=1S/C228H316N74O101P20S20/c1-7-9-11-13-15-17-19-21-23-25-27-29-31-33-49-342-75-116(343-50-34-32-30-28-26-24-22-20-18-16-14-12-10-8-2)76-344-404(322,424)345-78-138-118(52-165(366-138)284-43-36-158(230)267-219(284)312)385-406(324,426)347-79-139-120(54-167(367-139)286-45-38-160(232)269-221(286)314)387-408(326,428)352-84-144-124(58-171(372-144)290-71-112(3)208(304)279-225(290)318)391-412(330,432)350-82-142-121(55-168(370-142)287-46-39-161(233)270-222(287)315)388-409(327,429)353-85-145-127(61-174(373-145)293-74-115(6)211(307)282-228(293)321)394-415(333,435)356-89-149-129(63-176(377-149)295-104-258-185-194(237)246-98-252-200(185)295)396-416(334,436)351-83-143-123(57-170(371-143)289-48-41-163(235)272-224(289)317)390-411(329,431)363-95-155-135(69-182(383-155)301-110-264-191-206(301)274-216(243)277-213(191)309)403-423(341,443)364-96-156-136(70-183(384-156)302-111-265-192-207(302)275-217(244)278-214(192)310)402-422(340,442)360-92-152-130(64-177(380-152)296-105-259-186-195(238)247-99-253-201(186)296)397-417(335,437)355-87-147-126(60-173(375-147)292-73-114(5)210(306)281-227(292)320)393-414(332,434)354-86-146-125(59-172(374-146)291-72-113(4)209(305)280-226(291)319)392-413(331,433)349-81-141-119(53-166(369-141)285-44-37-159(231)268-220(285)313)386-407(325,427)348-80-140-122(56-169(368-140)288-47-40-162(234)271-223(288)316)389-410(328,430)362-94-154-134(68-181(382-154)300-109-263-190-205(300)273-215(242)276-212(190)308)401-421(339,441)361-93-153-133(67-180(381-153)299-108-262-189-198(241)250-102-256-204(189)299)400-420(338,440)359-91-151-132(66-179(379-151)298-107-261-188-197(240)249-101-255-203(188)298)399-419(337,439)358-90-150-131(65-178(378-150)297-106-260-187-196(239)248-100-254-202(187)297)398-418(336,438)357-88-148-128(62-175(376-148)294-103-257-184-193(236)245-97-251-199(184)294)395-405(323,425)346-77-137-117(303)51-164(365-137)283-42-35-157(229)266-218(283)311/h35-48,71-74,97-111,116-156,164-183,303H,7-34,49-70,75-96H2,1-6H3,(H,322,424)(H,323,425)(H,324,426)(H,325,427)(H,326,428)(H,327,429)(H,328,430)(H,329,431)(H,330,432)(H,331,433)(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)(H2,229,266,311)(H2,230,267,312)(H2,231,268,313)(H2,232,269,314)(H2,233,270,315)(H2,234,271,316)(H2,235,272,317)(H2,236,245,251)(H2,237,246,252)(H2,238,247,253)(H2,239,248,254)(H2,240,249,255)(H2,241,250,256)(H,279,304,318)(H,280,305,319)(H,281,306,320)(H,282,307,321)(H3,242,273,276,308)(H3,243,274,277,309)(H3,244,275,278,310)
- InChIKey
- RDJMIIYSDUJDHV-UHFFFAOYSA-N
- Compound name
- 1-[4-[[3-[[3-[[3-[[3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-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-[[3-[[3-[[3-[[3-[[5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]methoxy-sulfanylphosphoryl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[2,3-dihexadecoxypropoxy(hydroxy)phosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 6966.1103 | 311.5 |
[M+Na]+ | 6988.0922 | 311.5 |
[M-H]- | 6964.0957 | 311.5 |
[M+NH4]+ | 6983.1368 | 311.5 |
[M+K]+ | 7004.0662 | 311.5 |
[M+H-H2O]+ | 6948.1003 | 311.5 |
[M+HCOO]- | 7010.1012 | 311.5 |
[M+CH3COO]- | 7024.1169 | 311.5 |
[M+Na-2H]- | 6986.0777 | 311.5 |
[M]+ | 6965.1025 | 311.5 |
[M]- | 6965.1035 | 311.5 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.