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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	288.084276	160.8
[M+Na]+	310.066218	165.4
[M-H]-	286.069724	158.3
[M+NH4]+	305.110823	172.7
[M+K]+	326.040158	166.4
[M+H-H2O]+	270.074260	153.0
[M+HCOO]-	332.075201	180.4
[M+CH3COO]-	346.090851	194.6
[M+Na-2H]-	308.051666	161.7
[M]+	287.07645142	161.6
[M]-	287.07754858	161.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.