CID 16729324

5'-d[ggtttttgtgt]-3'

Structural Information

Molecular Formula
C110H140N34O71P10
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(OC1CO)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)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=NC2=C1N=C(NC2=O)N)N1C=C(C(=O)NC1=O)C)N1C=NC2=C1N=C(NC2=O)N)O
InChI
InChI=1S/C110H140N34O71P10/c1-41-19-134(104(158)127-89(41)147)70-8-48(146)60(196-70)27-185-216(165,166)213-56-16-78(142-38-116-82-86(142)120-101(112)124-97(82)155)204-68(56)35-193-222(177,178)212-55-15-76(140-25-47(7)95(153)133-110(140)164)202-66(55)33-192-225(183,184)215-58-18-80(144-40-118-84-88(144)122-103(114)126-99(84)157)205-69(58)36-194-223(179,180)211-54-14-75(139-24-46(6)94(152)132-109(139)163)200-64(54)31-190-220(173,174)209-52-12-73(137-22-44(4)92(150)130-107(137)161)198-62(52)29-188-218(169,170)207-50-10-71(135-20-42(2)90(148)128-105(135)159)197-61(50)28-187-219(171,172)208-51-11-72(136-21-43(3)91(149)129-106(136)160)199-63(51)30-189-221(175,176)210-53-13-74(138-23-45(5)93(151)131-108(138)162)201-65(53)32-191-224(181,182)214-57-17-79(143-39-117-83-87(143)121-102(113)125-98(83)156)203-67(57)34-186-217(167,168)206-49-9-77(195-59(49)26-145)141-37-115-81-85(141)119-100(111)123-96(81)154/h19-25,37-40,48-80,145-146H,8-18,26-36H2,1-7H3,(H,165,166)(H,167,168)(H,169,170)(H,171,172)(H,173,174)(H,175,176)(H,177,178)(H,179,180)(H,181,182)(H,183,184)(H,127,147,158)(H,128,148,159)(H,129,149,160)(H,130,150,161)(H,131,151,162)(H,132,152,163)(H,133,153,164)(H3,111,119,123,154)(H3,112,120,124,155)(H3,113,121,125,156)(H3,114,122,126,157)
InChIKey
WSRHSSJCVAGNPN-UHFFFAOYSA-N
Compound name
[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[2-[[[2-[[[2-[[[2-[[[2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl] [3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

3382.5767 Da
Monoisotopic Mass

-20.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 3383.5840 296.2
[M+Na]+ 3405.5659 299.3
[M-H]- 3381.5694 297.4
[M+NH4]+ 3400.6105 297.4
[M+K]+ 3421.5399 297.2
[M+H-H2O]+ 3365.5740 295.5
[M+HCOO]- 3427.5749 297.6
[M+CH3COO]- 3441.5906 297.9
[M+Na-2H]- 3403.5514 301.6
[M]+ 3382.5762 297.7
[M]- 3382.5772 297.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.