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

compound 2d structure
1
Annotation Hits

1
References

3
Patents

3610.348 Da
Monoisotopic Mass

-35.4
XlogP (predicted)

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
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe