CID 656959

(3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yl)-phosphoramidic acid dimethyl ester

Structural Information

Molecular Formula
C8H18NO8P
SMILES
COP(=O)(N[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)OC
InChI
InChI=1S/C8H18NO8P/c1-15-18(14,16-2)9-8-7(13)6(12)5(11)4(3-10)17-8/h4-8,10-13H,3H2,1-2H3,(H,9,14)/t4-,5-,6+,7-,8-/m1/s1
InChIKey
LJBUJRWZZYUNKX-JAJWTYFOSA-N
Compound name
(2R,3R,4S,5S,6R)-2-(dimethoxyphosphorylamino)-6-(hydroxymethyl)oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

287.077 Da
Monoisotopic Mass

-2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.08428 160.8
[M+Na]+ 310.06622 165.4
[M-H]- 286.06972 158.3
[M+NH4]+ 305.11082 172.7
[M+K]+ 326.04016 166.4
[M+H-H2O]+ 270.07426 153.0
[M+HCOO]- 332.07520 180.4
[M+CH3COO]- 346.09085 194.6
[M+Na-2H]- 308.05167 161.7
[M]+ 287.07645 161.6
[M]- 287.07755 161.6
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.