CID 16130034
5'-uuuuuuuuuuuu-3'
Structural Information
- Molecular Formula
- C108H133N24O94P11
- SMILES
- C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)OC3C(OC(C3O)N4C=CC(=O)NC4=O)COP(=O)(O)OC5C(OC(C5O)N6C=CC(=O)NC6=O)COP(=O)(O)OC7C(OC(C7O)N8C=CC(=O)NC8=O)COP(=O)(O)OC9C(OC(C9O)N1C=CC(=O)NC1=O)COP(=O)(O)OC1C(OC(C1O)N1C=CC(=O)NC1=O)COP(=O)(O)OC1C(OC(C1O)N1C=CC(=O)NC1=O)COP(=O)(O)OC1C(OC(C1O)N1C=CC(=O)NC1=O)COP(=O)(O)OC1C(OC(C1O)N1C=CC(=O)NC1=O)COP(=O)(O)OC1C(OC(C1O)N1C=CC(=O)NC1=O)COP(=O)(O)OC1C(OC(C1O)N1C=CC(=O)NC1=O)COP(=O)(O)OC1C(OC(C1O)N1C=CC(=O)NC1=O)CO)O)O
- InChI
- InChI=1S/C108H133N24O94P11/c133-25-37-74(63(148)86(204-37)122-14-2-50(135)110-98(122)160)216-228(173,174)194-27-39-76(65(150)88(206-39)124-16-4-52(137)112-100(124)162)218-230(177,178)196-29-41-78(67(152)90(208-41)126-18-6-54(139)114-102(126)164)220-232(181,182)198-31-43-80(69(154)92(210-43)128-20-8-56(141)116-104(128)166)222-234(185,186)200-33-45-82(71(156)94(212-45)130-22-10-58(143)118-106(130)168)224-236(189,190)202-35-47-84(73(158)96(214-47)132-24-12-60(145)120-108(132)170)226-237(191,192)203-36-48-83(72(157)95(215-48)131-23-11-59(144)119-107(131)169)225-235(187,188)201-34-46-81(70(155)93(213-46)129-21-9-57(142)117-105(129)167)223-233(183,184)199-32-44-79(68(153)91(211-44)127-19-7-55(140)115-103(127)165)221-231(179,180)197-30-42-77(66(151)89(209-42)125-17-5-53(138)113-101(125)163)219-229(175,176)195-28-40-75(64(149)87(207-40)123-15-3-51(136)111-99(123)161)217-227(171,172)193-26-38-61(146)62(147)85(205-38)121-13-1-49(134)109-97(121)159/h1-24,37-48,61-96,133,146-158H,25-36H2,(H,171,172)(H,173,174)(H,175,176)(H,177,178)(H,179,180)(H,181,182)(H,183,184)(H,185,186)(H,187,188)(H,189,190)(H,191,192)(H,109,134,159)(H,110,135,160)(H,111,136,161)(H,112,137,162)(H,113,138,163)(H,114,139,164)(H,115,140,165)(H,116,141,166)(H,117,142,167)(H,118,143,168)(H,119,144,169)(H,120,145,170)
- InChIKey
- RXRQDEDQBPULHA-UHFFFAOYSA-N
- Compound name
- [5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl [5-(2,4-dioxopyrimidin-1-yl)-2-[[[5-(2,4-dioxopyrimidin-1-yl)-2-[[[5-(2,4-dioxopyrimidin-1-yl)-2-[[[5-(2,4-dioxopyrimidin-1-yl)-2-[[[5-(2,4-dioxopyrimidin-1-yl)-2-[[[5-(2,4-dioxopyrimidin-1-yl)-2-[[[5-(2,4-dioxopyrimidin-1-yl)-2-[[[5-(2,4-dioxopyrimidin-1-yl)-2-[[[5-(2,4-dioxopyrimidin-1-yl)-2-[[[5-(2,4-dioxopyrimidin-1-yl)-2-[[[5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-4-hydroxyoxolan-3-yl] hydrogen phosphate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 3611.3553 | 322.0 |
[M+Na]+ | 3633.3372 | 325.0 |
[M-H]- | 3609.3407 | 324.4 |
[M+NH4]+ | 3628.3818 | 323.1 |
[M+K]+ | 3649.3112 | 321.9 |
[M+H-H2O]+ | 3593.3453 | 319.9 |
[M+HCOO]- | 3655.3462 | 322.8 |
[M+CH3COO]- | 3669.3619 | 322.5 |
[M+Na-2H]- | 3631.3227 | 325.3 |
[M]+ | 3610.3475 | 322.7 |
[M]- | 3610.3485 | 322.7 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.