CID 475835

Ct 7625

Structural Information

Molecular Formula
C34H60N5O13P
SMILES
CCCCCCCCCCCCCCCCOP(=O)(OCCO[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)N=[N+]=[N-]
InChI
InChI=1S/C34H60N5O13P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-48-53(46,49-19-18-47-33-31(43)30(42)29(41)26(22-40)52-33)50-23-27-25(37-38-35)20-28(51-27)39-21-24(2)32(44)36-34(39)45/h21,25-31,33,40-43H,3-20,22-23H2,1-2H3,(H,36,44,45)/t25-,26+,27+,28+,29+,30-,31-,33+,53?/m0/s1
InChIKey
KGVVTDWOGMHKLE-HCONKJCBSA-N
Compound name
[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl hexadecyl 2-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

777.3925 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 778.39978 268.8
[M+Na]+ 800.38172 270.9
[M-H]- 776.38522 264.9
[M+NH4]+ 795.42632 269.7
[M+K]+ 816.35566 267.5
[M+H-H2O]+ 760.38976 257.3
[M+HCOO]- 822.39070 270.8
[M+CH3COO]- 836.40635 287.7
[M+Na-2H]- 798.36717 291.8
[M]+ 777.39195 282.1
[M]- 777.39305 282.1
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.