CID 172879892

Chebi:144033

Structural Information

Molecular Formula
C18H30NO18P
SMILES
C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H]([C@@H]([C@H]([C@H]([C@H]2OP(=O)(O)OC[C@@H](COC=O)OC=O)OC=O)O)O)O)N)O)O)O
InChI
InChI=1S/C18H30NO18P/c19-9-11(25)10(24)8(1-20)35-18(9)36-16-14(28)12(26)13(27)15(33-6-23)17(16)37-38(29,30)34-3-7(32-5-22)2-31-4-21/h4-18,20,24-28H,1-3,19H2,(H,29,30)/t7-,8-,9-,10-,11-,12-,13-,14+,15-,16-,17-,18-/m1/s1
InChIKey
UGYROJVDCRUISY-GBAAMNHASA-N
Compound name
[(2R)-3-[[(1S,2R,3S,4S,5R,6R)-2-[(2R,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-formyloxy-3,4,5-trihydroxycyclohexyl]oxy-hydroxyphosphoryl]oxy-2-formyloxypropyl] formate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

579.12006 Da
Monoisotopic Mass

-7.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 580.12734 214.8
[M+Na]+ 602.10928 214.3
[M-H]- 578.11278 210.1
[M+NH4]+ 597.15388 213.7
[M+K]+ 618.08322 210.8
[M+H-H2O]+ 562.11732 203.5
[M+HCOO]- 624.11826 216.2
[M+CH3COO]- 638.13391 250.1
[M+Na-2H]- 600.09473 235.0
[M]+ 579.11951 207.2
[M]- 579.12061 207.2
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.