CID 16186452
T t t t t t t t t t t t t t t, phosphorothioate
Structural Information
- Molecular Formula
- C150H196N30O89P14S14
- SMILES
- CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=S)(O)OC3CC(OC3COP(=S)(O)OC4CC(OC4COP(=S)(O)OC5CC(OC5COP(=S)(O)OC6CC(OC6COP(=S)(O)OC7CC(OC7COP(=S)(O)OC8CC(OC8COP(=O)(OC9CC(OC9COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(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)S)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/C150H196N30O89P14S14/c1-61-31-166(136(198)151-121(61)183)106-16-76(182)92(242-106)47-227-270(213,284)257-78-18-108(168-33-63(3)123(185)153-138(168)200)244-94(78)49-229-272(215,286)259-80-20-110(170-35-65(5)125(187)155-140(170)202)246-96(80)51-231-274(217,288)261-82-22-112(172-37-67(7)127(189)157-142(172)204)248-98(82)53-233-276(219,290)263-84-24-114(174-39-69(9)129(191)159-144(174)206)250-100(84)55-235-278(221,292)265-86-26-116(176-41-71(11)131(193)161-146(176)208)252-102(86)57-237-280(223,294)267-88-28-118(178-43-73(13)133(195)163-148(178)210)254-104(88)59-239-282(225,296)269-90-30-120(180-45-75(15)135(197)165-150(180)212)255-105(90)60-240-283(226,297)268-89-29-119(179-44-74(14)134(196)164-149(179)211)253-103(89)58-238-281(224,295)266-87-27-117(177-42-72(12)132(194)162-147(177)209)251-101(87)56-236-279(222,293)264-85-25-115(175-40-70(10)130(192)160-145(175)207)249-99(85)54-234-277(220,291)262-83-23-113(173-38-68(8)128(190)158-143(173)205)247-97(83)52-232-275(218,289)260-81-21-111(171-36-66(6)126(188)156-141(171)203)245-95(81)50-230-273(216,287)258-79-19-109(169-34-64(4)124(186)154-139(169)201)243-93(79)48-228-271(214,285)256-77-17-107(241-91(77)46-181)167-32-62(2)122(184)152-137(167)199/h31-45,76-120,181-182H,16-30,46-60H2,1-15H3,(H,213,284)(H,214,285)(H,215,286)(H,216,287)(H,217,288)(H,218,289)(H,219,290)(H,220,291)(H,221,292)(H,222,293)(H,223,294)(H,224,295)(H,225,296)(H,226,297)(H,151,183,198)(H,152,184,199)(H,153,185,200)(H,154,186,201)(H,155,187,202)(H,156,188,203)(H,157,189,204)(H,158,190,205)(H,159,191,206)(H,160,192,207)(H,161,193,208)(H,162,194,209)(H,163,195,210)(H,164,196,211)(H,165,197,212)
- InChIKey
- VOXMSOFYTKAXCM-UHFFFAOYSA-N
- Compound name
- 1-[4-hydroxy-5-[[hydroxy-[2-[[hydroxy-[2-[[hydroxy-[2-[[hydroxy-[2-[[hydroxy-[2-[[hydroxy-[2-[[[2-[[hydroxy-[2-[[hydroxy-[2-[[hydroxy-[2-[[hydroxy-[2-[[hydroxy-[2-[[hydroxy-[2-[[hydroxy-[2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphinothioyl]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]oxyphosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphinothioyl]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]+ | 4723.4223 | 312.2 |
[M+Na]+ | 4745.4042 | 312.5 |
[M-H]- | 4721.4077 | 312.4 |
[M+NH4]+ | 4740.4488 | 312.3 |
[M+K]+ | 4761.3782 | 312.3 |
[M+H-H2O]+ | 4705.4123 | 312.1 |
[M+HCOO]- | 4767.4132 | 312.3 |
[M+CH3COO]- | 4781.4289 | 312.3 |
[M+Na-2H]- | 4743.3897 | 312.6 |
[M]+ | 4722.4145 | 312.5 |
[M]- | 4722.4155 | 312.5 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.