CID 504712

D-glucitol, 2-(acetylamino)-2-deoxy-6-o-(dimethoxyphosphinyl)-

Structural Information

Molecular Formula
C10H22NO9P
SMILES
CC(=O)N[C@@H](CO)[C@H]([C@@H]([C@@H](COP(=O)(OC)OC)O)O)O
InChI
InChI=1S/C10H22NO9P/c1-6(13)11-7(4-12)9(15)10(16)8(14)5-20-21(17,18-2)19-3/h7-10,12,14-16H,4-5H2,1-3H3,(H,11,13)/t7-,8+,9+,10+/m0/s1
InChIKey
WARLCCLXCYJBPQ-SGIHWFKDSA-N
Compound name
[(2R,3S,4R,5S)-5-acetamido-2,3,4,6-tetrahydroxyhexyl] dimethyl phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

331.1032 Da
Monoisotopic Mass

-3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.11048 172.7
[M+Na]+ 354.09242 184.2
[M-H]- 330.09592 183.0
[M+NH4]+ 349.13702 182.4
[M+K]+ 370.06636 176.4
[M+H-H2O]+ 314.10046 164.7
[M+HCOO]- 376.10140 181.1
[M+CH3COO]- 390.11705 203.1
[M+Na-2H]- 352.07787 168.7
[M]+ 331.10265 174.3
[M]- 331.10375 174.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.