CID 16133633
.alpha.-dt14
Structural Information
- Molecular Formula
- C140H183N28O96P13
- SMILES
- CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)OC3CC(OC3COP(=O)(O)OC4CC(OC4COP(=O)(O)OC5CC(OC5COP(=O)(O)OC6CC(OC6COP(=O)(O)OC7CC(OC7COP(=O)(O)OC8CC(OC8COP(=O)(O)OC9CC(OC9COP(=O)(O)OC1CC(OC1COP(=O)(O)OC1CC(OC1COP(=O)(O)OC1CC(OC1COP(=O)(O)OC1CC(OC1COP(=O)(O)OC1CC(OC1COP(=O)(O)OC1CC(OC1CO)N1C=C(C(=O)NC1=O)C)N1C=C(C(=O)NC1=O)C)N1C=C(C(=O)NC1=O)C)N1C=C(C(=O)NC1=O)C)N1C=C(C(=O)NC1=O)C)N1C=C(C(=O)NC1=O)C)N1C=C(C(=O)NC1=O)C)N1C=C(C(=O)NC1=O)C)N1C=C(C(=O)NC1=O)C)N1C=C(C(=O)NC1=O)C)N1C=C(C(=O)NC1=O)C)N1C=C(C(=O)NC1=O)C)N1C=C(C(=O)NC1=O)C)O
- InChI
- InChI=1S/C140H183N28O96P13/c1-57-29-155(127(185)141-113(57)171)99-15-71(170)86(239-99)44-225-265(199,200)253-73-17-101(157-31-59(3)115(173)143-129(157)187)241-88(73)46-227-267(203,204)255-75-19-103(159-33-61(5)117(175)145-131(159)189)243-90(75)48-229-269(207,208)257-77-21-105(161-35-63(7)119(177)147-133(161)191)245-92(77)50-231-271(211,212)259-79-23-107(163-37-65(9)121(179)149-135(163)193)247-94(79)52-233-273(215,216)261-81-25-109(165-39-67(11)123(181)151-137(165)195)249-96(81)54-235-275(219,220)263-83-27-111(167-41-69(13)125(183)153-139(167)197)251-98(83)56-237-277(223,224)264-84-28-112(168-42-70(14)126(184)154-140(168)198)250-97(84)55-236-276(221,222)262-82-26-110(166-40-68(12)124(182)152-138(166)196)248-95(82)53-234-274(217,218)260-80-24-108(164-38-66(10)122(180)150-136(164)194)246-93(80)51-232-272(213,214)258-78-22-106(162-36-64(8)120(178)148-134(162)192)244-91(78)49-230-270(209,210)256-76-20-104(160-34-62(6)118(176)146-132(160)190)242-89(76)47-228-268(205,206)254-74-18-102(158-32-60(4)116(174)144-130(158)188)240-87(74)45-226-266(201,202)252-72-16-100(238-85(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,199,200)(H,201,202)(H,203,204)(H,205,206)(H,207,208)(H,209,210)(H,211,212)(H,213,214)(H,215,216)(H,217,218)(H,219,220)(H,221,222)(H,223,224)(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
- LAODDFSRVNOLHC-UHFFFAOYSA-N
- Compound name
- [3-[hydroxy-[[3-[hydroxy-[[3-[hydroxy-[[3-[hydroxy-[[3-[hydroxy-[[3-[hydroxy-[[3-[hydroxy-[[3-[hydroxy-[[3-[hydroxy-[[3-[hydroxy-[[3-[hydroxy-[[3-[hydroxy-[[3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl [2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] hydrogen phosphate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 4195.6963 | 316.2 |
[M+Na]+ | 4217.6782 | 317.6 |
[M-H]- | 4193.6817 | 317.2 |
[M+NH4]+ | 4212.7228 | 316.8 |
[M+K]+ | 4233.6522 | 316.2 |
[M+H-H2O]+ | 4177.6863 | 315.3 |
[M+HCOO]- | 4239.6872 | 316.6 |
[M+CH3COO]- | 4253.7029 | 316.5 |
[M+Na-2H]- | 4215.6637 | 317.9 |
[M]+ | 4194.6885 | 316.9 |
[M]- | 4194.6895 | 316.9 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.