CID 16186147
Ls-dt20
Structural Information
- Molecular Formula
- C235H332N40O123P20S20
- SMILES
- CCCCCCCCCCCCCCCCOCC(COP(=S)(O)OCC1C(CC(O1)N2C=C(C(=O)NC2=O)C)OP(=S)(O)OCC3C(CC(O3)N4C=C(C(=O)NC4=O)C)OP(=S)(O)OCC5C(CC(O5)N6C=C(C(=O)NC6=O)C)OP(=S)(O)OCC7C(CC(O7)N8C=C(C(=O)NC8=O)C)OP(=S)(O)OCC9C(CC(O9)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=C(C(=O)NC1=O)C)OP(=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=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=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)O)S)OCCCCCCCCCCCCCCCC
- InChI
- InChI=1S/C235H332N40O123P20S20/c1-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51-337-93-135(338-52-50-48-46-44-42-40-38-36-34-32-30-28-26-24-2)94-339-399(317,419)340-96-157-137(54-177(361-157)257-74-116(4)197(278)237-217(257)298)381-401(319,421)342-98-159-139(56-179(363-159)259-76-118(6)199(280)239-219(259)300)383-403(321,423)344-100-161-141(58-181(365-161)261-78-120(8)201(282)241-221(261)302)385-405(323,425)346-102-163-143(60-183(367-163)263-80-122(10)203(284)243-223(263)304)387-407(325,427)348-104-165-145(62-185(369-165)265-82-124(12)205(286)245-225(265)306)389-409(327,429)350-106-167-147(64-187(371-167)267-84-126(14)207(288)247-227(267)308)391-411(329,431)352-108-169-149(66-189(373-169)269-86-128(16)209(290)249-229(269)310)393-413(331,433)354-110-171-151(68-191(375-171)271-88-130(18)211(292)251-231(271)312)395-415(333,435)356-112-173-153(70-193(377-173)273-90-132(20)213(294)253-233(273)314)397-417(335,437)358-114-175-155(72-195(379-175)275-92-134(22)215(296)255-235(275)316)398-418(336,438)359-113-174-154(71-194(378-174)274-91-133(21)214(295)254-234(274)315)396-416(334,436)357-111-172-152(69-192(376-172)272-89-131(19)212(293)252-232(272)313)394-414(332,434)355-109-170-150(67-190(374-170)270-87-129(17)210(291)250-230(270)311)392-412(330,432)353-107-168-148(65-188(372-168)268-85-127(15)208(289)248-228(268)309)390-410(328,430)351-105-166-146(63-186(370-166)266-83-125(13)206(287)246-226(266)307)388-408(326,428)349-103-164-144(61-184(368-164)264-81-123(11)204(285)244-224(264)305)386-406(324,426)347-101-162-142(59-182(366-162)262-79-121(9)202(283)242-222(262)303)384-404(322,424)345-99-160-140(57-180(364-160)260-77-119(7)200(281)240-220(260)301)382-402(320,422)343-97-158-138(55-178(362-158)258-75-117(5)198(279)238-218(258)299)380-400(318,420)341-95-156-136(276)53-176(360-156)256-73-115(3)196(277)236-216(256)297/h73-92,135-195,276H,23-72,93-114H2,1-22H3,(H,317,419)(H,318,420)(H,319,421)(H,320,422)(H,321,423)(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,236,277,297)(H,237,278,298)(H,238,279,299)(H,239,280,300)(H,240,281,301)(H,241,282,302)(H,242,283,303)(H,243,284,304)(H,244,285,305)(H,245,286,306)(H,246,287,307)(H,247,288,308)(H,248,289,309)(H,249,290,310)(H,250,291,311)(H,251,292,312)(H,252,293,313)(H,253,294,314)(H,254,295,315)(H,255,296,316)
- InChIKey
- RRQHKYZLLMWBJU-UHFFFAOYSA-N
- Compound name
- 1-[5-[[[2-[[[2-[[[2-[[[2-[[[2-[[[2-[[[2-[[[2-[[[2-[[[2-[[[2-[[[2-[[[2-[[[2-[[[2-[[[2-[[[2-[[[2-[[[2-[[2,3-dihexadecoxypropoxy(hydroxy)phosphinothioyl]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]-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]-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-sulfanylphosphoryl]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]-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]-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]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 6942.0193 | 311.5 |
[M+Na]+ | 6964.0012 | 311.5 |
[M-H]- | 6940.0047 | 311.5 |
[M+NH4]+ | 6959.0458 | 311.5 |
[M+K]+ | 6979.9752 | 311.5 |
[M+H-H2O]+ | 6924.0093 | 311.5 |
[M+HCOO]- | 6986.0102 | 311.5 |
[M+CH3COO]- | 7000.0259 | 311.5 |
[M+Na-2H]- | 6961.9867 | 311.5 |
[M]+ | 6941.0115 | 311.5 |
[M]- | 6941.0125 | 311.5 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.