CID 16197311
D(txtxtxtxtxtxtxtxtxtxtxtxtxt)
Structural Information
- Molecular Formula
- C140H183N28O70P13S26
- SMILES
- CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=S)(OC3CC(OC3COP(=S)(OC4CC(OC4COP(=S)(OC5CC(OC5COP(=S)(OC6CC(OC6COP(=S)(OC7CC(OC7COP(=S)(OC8CC(OC8COP(=S)(OC9CC(OC9COP(=S)(OC1CC(OC1COP(=S)(OC1CC(OC1COP(=S)(OC1CC(OC1COP(=S)(OC1CC(OC1COP(=S)(OC1CC(OC1COP(=S)(OC1CC(OC1CO)N1C=C(C(=O)NC1=O)C)S)N1C=C(C(=O)NC1=O)C)S)N1C=C(C(=O)NC1=O)C)S)N1C=C(C(=O)NC1=O)C)S)N1C=C(C(=O)NC1=O)C)S)N1C=C(C(=O)NC1=O)C)S)N1C=C(C(=O)NC1=O)C)S)N1C=C(C(=O)NC1=O)C)S)N1C=C(C(=O)NC1=O)C)S)N1C=C(C(=O)NC1=O)C)S)N1C=C(C(=O)NC1=O)C)S)N1C=C(C(=O)NC1=O)C)S)N1C=C(C(=O)NC1=O)C)S)O
- InChI
- InChI=1S/C140H183N28O70P13S26/c1-57-29-155(127(185)141-113(57)171)99-15-71(170)86(213-99)44-199-239(252,253)227-73-17-101(157-31-59(3)115(173)143-129(157)187)215-88(73)46-201-241(256,257)229-75-19-103(159-33-61(5)117(175)145-131(159)189)217-90(75)48-203-243(260,261)231-77-21-105(161-35-63(7)119(177)147-133(161)191)219-92(77)50-205-245(264,265)233-79-23-107(163-37-65(9)121(179)149-135(163)193)221-94(79)52-207-247(268,269)235-81-25-109(165-39-67(11)123(181)151-137(165)195)223-96(81)54-209-249(272,273)237-83-27-111(167-41-69(13)125(183)153-139(167)197)225-98(83)56-211-251(276,277)238-84-28-112(168-42-70(14)126(184)154-140(168)198)224-97(84)55-210-250(274,275)236-82-26-110(166-40-68(12)124(182)152-138(166)196)222-95(82)53-208-248(270,271)234-80-24-108(164-38-66(10)122(180)150-136(164)194)220-93(80)51-206-246(266,267)232-78-22-106(162-36-64(8)120(178)148-134(162)192)218-91(78)49-204-244(262,263)230-76-20-104(160-34-62(6)118(176)146-132(160)190)216-89(76)47-202-242(258,259)228-74-18-102(158-32-60(4)116(174)144-130(158)188)214-87(74)45-200-240(254,255)226-72-16-100(212-85(72)43-169)156-30-58(2)114(172)142-128(156)186/h29-42,71-112,169-170H,15-28,43-56H2,1-14H3,(H,252,253)(H,254,255)(H,256,257)(H,258,259)(H,260,261)(H,262,263)(H,264,265)(H,266,267)(H,268,269)(H,270,271)(H,272,273)(H,274,275)(H,276,277)(H,141,171,185)(H,142,172,186)(H,143,173,187)(H,144,174,188)(H,145,175,189)(H,146,176,190)(H,147,177,191)(H,148,178,192)(H,149,179,193)(H,150,180,194)(H,151,181,195)(H,152,182,196)(H,153,183,197)(H,154,184,198)
- InChIKey
- ZJWOFABGOBDEQZ-UHFFFAOYSA-N
- Compound name
- 1-[4-hydroxy-5-[[[2-[[[2-[[[2-[[[2-[[[2-[[[2-[[[2-[[[2-[[[2-[[[2-[[[2-[[[2-[[[2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-sulfanylphosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-sulfanylphosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-sulfanylphosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-sulfanylphosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-sulfanylphosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-sulfanylphosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-sulfanylphosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-sulfanylphosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-sulfanylphosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-sulfanylphosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-sulfanylphosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-sulfanylphosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-sulfanylphosphinothioyl]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]+ | 4611.1020 | 311.4 |
[M+Na]+ | 4633.0839 | 311.4 |
[M-H]- | 4609.0874 | 311.4 |
[M+NH4]+ | 4628.1285 | 311.4 |
[M+K]+ | 4649.0579 | 311.4 |
[M+H-H2O]+ | 4593.0920 | 311.4 |
[M+HCOO]- | 4655.0929 | 311.4 |
[M+CH3COO]- | 4669.1086 | 311.4 |
[M+Na-2H]- | 4631.0694 | 311.4 |
[M]+ | 4610.0942 | 311.4 |
[M]- | 4610.0952 | 311.4 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.