CID 16130157
S2(dc)12
Structural Information
- Molecular Formula
- C108H145N36O48P11S22
- SMILES
- C1C(C(OC1N2C=CC(=NC2=O)N)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(OC1CO)N1C=CC(=NC1=O)N)S)N1C=CC(=NC1=O)N)S)N1C=CC(=NC1=O)N)S)N1C=CC(=NC1=O)N)S)N1C=CC(=NC1=O)N)S)N1C=CC(=NC1=O)N)S)N1C=CC(=NC1=O)N)S)N1C=CC(=NC1=O)N)S)N1C=CC(=NC1=O)N)S)N1C=CC(=NC1=O)N)S)N1C=CC(=NC1=O)N)S)O
- InChI
- InChI=1S/C108H145N36O48P11S22/c109-73-1-13-133(97(147)121-73)85-25-49(146)62(171-85)38-159-193(204,205)183-51-27-87(135-15-3-75(111)123-99(135)149)173-64(51)40-161-195(208,209)185-53-29-89(137-17-5-77(113)125-101(137)151)175-66(53)42-163-197(212,213)187-55-31-91(139-19-7-79(115)127-103(139)153)177-68(55)44-165-199(216,217)189-57-33-93(141-21-9-81(117)129-105(141)155)179-70(57)46-167-201(220,221)191-59-35-95(143-23-11-83(119)131-107(143)157)181-72(59)48-169-203(224,225)192-60-36-96(144-24-12-84(120)132-108(144)158)180-71(60)47-168-202(222,223)190-58-34-94(142-22-10-82(118)130-106(142)156)178-69(58)45-166-200(218,219)188-56-32-92(140-20-8-80(116)128-104(140)154)176-67(56)43-164-198(214,215)186-54-30-90(138-18-6-78(114)126-102(138)152)174-65(54)41-162-196(210,211)184-52-28-88(136-16-4-76(112)124-100(136)150)172-63(52)39-160-194(206,207)182-50-26-86(170-61(50)37-145)134-14-2-74(110)122-98(134)148/h1-24,49-72,85-96,145-146H,25-48H2,(H,204,205)(H,206,207)(H,208,209)(H,210,211)(H,212,213)(H,214,215)(H,216,217)(H,218,219)(H,220,221)(H,222,223)(H,224,225)(H2,109,121,147)(H2,110,122,148)(H2,111,123,149)(H2,112,124,150)(H2,113,125,151)(H2,114,126,152)(H2,115,127,153)(H2,116,128,154)(H2,117,129,155)(H2,118,130,156)(H2,119,131,157)(H2,120,132,158)
- InChIKey
- NHRHYGRZFFCMHK-UHFFFAOYSA-N
- Compound name
- 4-amino-1-[5-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy-sulfanylphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-sulfanylphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-sulfanylphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-sulfanylphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-sulfanylphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-sulfanylphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-sulfanylphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-sulfanylphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-sulfanylphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-sulfanylphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-sulfanylphosphinothioyl]oxymethyl]-4-hydroxyoxolan-2-yl]pyrimidin-2-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 3759.1054 | 310.3 |
[M+Na]+ | 3781.0873 | 310.7 |
[M-H]- | 3757.0908 | 310.5 |
[M+NH4]+ | 3776.1319 | 310.5 |
[M+K]+ | 3797.0613 | 310.5 |
[M+H-H2O]+ | 3741.0954 | 310.4 |
[M+HCOO]- | 3803.0963 | 310.5 |
[M+CH3COO]- | 3817.1120 | 310.5 |
[M+Na-2H]- | 3779.0728 | 310.8 |
[M]+ | 3758.0976 | 310.7 |
[M]- | 3758.0986 | 310.7 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.