CID 503715

Chembl2092829

Structural Information

Molecular Formula
C16H24N5O12P
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)OC[C@@H]3[C@H]([C@@H]([C@H](C(O3)O)O)O)O)N=[N+]=[N-]
InChI
InChI=1S/C16H24N5O12P/c1-6-3-21(16(27)18-14(6)25)10-2-7(19-20-17)8(32-10)4-30-34(28,29)31-5-9-11(22)12(23)13(24)15(26)33-9/h3,7-13,15,22-24,26H,2,4-5H2,1H3,(H,28,29)(H,18,25,27)/t7-,8+,9+,10+,11+,12-,13+,15?/m0/s1
InChIKey
KBZGJHJIQVDVES-KFQCIAAJSA-N
Compound name
[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl [(2R,3S,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

509.1159 Da
Monoisotopic Mass

-3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 510.12318 212.6
[M+Na]+ 532.10512 214.5
[M-H]- 508.10862 208.2
[M+NH4]+ 527.14972 213.7
[M+K]+ 548.07906 214.5
[M+H-H2O]+ 492.11316 202.3
[M+HCOO]- 554.11410 216.0
[M+CH3COO]- 568.12975 233.4
[M+Na-2H]- 530.09057 234.3
[M]+ 509.11535 225.7
[M]- 509.11645 225.7
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.