CID 86289135

Dtdp-2,3,6-trideoxy-3-c-methyl-4-o-methyl-3-nitroso-beta-l-arabino-hexopyranose(2-)

Structural Information

Molecular Formula
C18H29N3O14P2
SMILES
C[C@H]1[C@@H]([C@@](C[C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)(C)N=O)OC
InChI
InChI=1S/C18H29N3O14P2/c1-9-7-21(17(24)19-16(9)23)13-5-11(22)12(33-13)8-31-36(26,27)35-37(28,29)34-14-6-18(3,20-25)15(30-4)10(2)32-14/h7,10-15,22H,5-6,8H2,1-4H3,(H,26,27)(H,28,29)(H,19,23,24)/t10-,11-,12+,13+,14+,15-,18-/m0/s1
InChIKey
IKOVYVWEGRIBDT-JGQKHYKVSA-N
Compound name
[hydroxy-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] [(2R,4S,5R,6S)-5-methoxy-4,6-dimethyl-4-nitrosooxan-2-yl] hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

573.1125 Da
Monoisotopic Mass

-3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 574.11978 213.0
[M+Na]+ 596.10172 214.8
[M+NH4]+ 591.14632 212.7
[M+K]+ 612.07566 216.3
[M-H]- 572.10522 205.8
[M+Na-2H]- 594.08717 220.0
[M]+ 573.11195 210.5
[M]- 573.11305 210.5
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.