CID 44135672

Deoxyribonucleic acid

Structural Information

Molecular Formula
C15H31N3O13P2
SMILES
C1C(C(OC1N)COP(=O)(O)OC2CC(OC2COP(=O)(O)OC3CC(OC3CO)N)N)O
InChI
InChI=1S/C15H31N3O13P2/c16-13-1-7(20)11(28-13)5-25-32(21,22)31-9-3-15(18)29-12(9)6-26-33(23,24)30-8-2-14(17)27-10(8)4-19/h7-15,19-20H,1-6,16-18H2,(H,21,22)(H,23,24)
InChIKey
AWBASQCACWFTGD-UHFFFAOYSA-N
Compound name
[5-amino-2-[[[5-amino-2-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl] (5-amino-3-hydroxyoxolan-2-yl)methyl hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

315600
References

144
Patents

523.13324 Da
Monoisotopic Mass

-10.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 524.14052 215.1
[M+Na]+ 546.12246 217.3
[M+NH4]+ 541.16706 215.0
[M+K]+ 562.09640 216.3
[M-H]- 522.12596 207.6
[M+Na-2H]- 544.10791 214.6
[M]+ 523.13269 212.8
[M]- 523.13379 212.8
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

patents stripe