CID 464604

Di[3'-(o)ac-t]-5',5''-(ph)mp

Structural Information

Molecular Formula
C30H35N4O14P
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(OC[C@@H]3[C@H](C[C@@H](O3)N4C=C(C(=O)NC4=O)C)OC(=O)C)OC5=CC=CC=C5)OC(=O)C
InChI
InChI=1S/C30H35N4O14P/c1-16-12-33(29(39)31-27(16)37)25-10-21(44-18(3)35)23(46-25)14-42-49(41,48-20-8-6-5-7-9-20)43-15-24-22(45-19(4)36)11-26(47-24)34-13-17(2)28(38)32-30(34)40/h5-9,12-13,21-26H,10-11,14-15H2,1-4H3,(H,31,37,39)(H,32,38,40)/t21-,22-,23+,24+,25+,26+/m0/s1
InChIKey
HVVGSXGCQNCRIR-XOGRSFEHSA-N
Compound name
[(2R,3S,5R)-2-[[[(2R,3S,5R)-3-acetyloxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

706.1887 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 707.19598 235.5
[M+Na]+ 729.17792 240.3
[M-H]- 705.18142 232.8
[M+NH4]+ 724.22252 236.4
[M+K]+ 745.15186 231.9
[M+H-H2O]+ 689.18596 220.3
[M+HCOO]- 751.18690 238.2
[M+CH3COO]- 765.20255 274.2
[M+Na-2H]- 727.16337 237.5
[M]+ 706.18815 242.8
[M]- 706.18925 242.8
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

No patent data available for this compound.