CID 16075367

(1r,2s,3s,4s,5r)-3-(6-aminopurin-9-yl)-4,5-bis(hydroxymethyl)cyclopentane-1,2,4-triol

Structural Information

Molecular Formula
C12H17N5O5
SMILES
C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H]([C@]3(CO)O)CO)O)O)N
InChI
InChI=1S/C12H17N5O5/c13-10-6-11(15-3-14-10)17(4-16-6)9-8(21)7(20)5(1-18)12(9,22)2-19/h3-5,7-9,18-22H,1-2H2,(H2,13,14,15)/t5-,7-,8-,9+,12+/m1/s1
InChIKey
HZFRYWLMZCAJCI-KBLHZJELSA-N
Compound name
(1R,2S,3S,4S,5R)-3-(6-aminopurin-9-yl)-4,5-bis(hydroxymethyl)cyclopentane-1,2,4-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

311.12296 Da
Monoisotopic Mass

-3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.13024 167.3
[M+Na]+ 334.11218 177.1
[M-H]- 310.11568 165.3
[M+NH4]+ 329.15678 179.9
[M+K]+ 350.08612 172.5
[M+H-H2O]+ 294.12022 160.8
[M+HCOO]- 356.12116 180.8
[M+CH3COO]- 370.13681 196.9
[M+Na-2H]- 332.09763 168.2
[M]+ 311.12241 166.3
[M]- 311.12351 166.3
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.