CID 136948342

Guanosine triphosphate adenosine

Structural Information

Molecular Formula
C20H27N10O17P3
SMILES
C1=NC(=C2C(=N1)N(C=N2)[C@H]3C(C([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]4C(C([C@@H](O4)N5C=NC6=C5N=C(NC6=O)N)O)O)O)O)N
InChI
InChI=1S/C20H27N10O17P3/c21-14-8-15(24-3-23-14)29(4-25-8)18-12(33)10(31)6(44-18)1-42-48(36,37)46-50(40,41)47-49(38,39)43-2-7-11(32)13(34)19(45-7)30-5-26-9-16(30)27-20(22)28-17(9)35/h3-7,10-13,18-19,31-34H,1-2H2,(H,36,37)(H,38,39)(H,40,41)(H2,21,23,24)(H3,22,27,28,35)/t6-,7-,10?,11?,12?,13?,18-,19-/m1/s1
InChIKey
PMJUJCUPNRCBNP-KNKPYYCGSA-N
Compound name
[[(2R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [[(2R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

772.07684 Da
Monoisotopic Mass

-8.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 773.08412 242.1
[M+Na]+ 795.06606 250.5
[M+NH4]+ 790.11066 246.0
[M+K]+ 811.04000 249.2
[M-H]- 771.06956 241.3
[M+Na-2H]- 793.05151 235.4
[M]+ 772.07629 244.3
[M]- 772.07739 244.3
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

No patent data available for this compound.