CID 443710

3-amino-3-deoxy-6-o-phosphono-d-glucopyranose(1-)

Structural Information

Molecular Formula
C6H14NO8P
SMILES
C([C@@H]1[C@H]([C@@H]([C@H](C(O1)O)O)N)O)OP(=O)(O)O
InChI
InChI=1S/C6H14NO8P/c7-3-4(8)2(1-14-16(11,12)13)15-6(10)5(3)9/h2-6,8-10H,1,7H2,(H2,11,12,13)/t2-,3+,4-,5-,6?/m1/s1
InChIKey
FNLHPZUNSZDBLN-CBPJZXOFSA-N
Compound name
[(2R,3S,4S,5R)-4-amino-3,5,6-trihydroxyoxan-2-yl]methyl dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

4
Patents

259.04572 Da
Monoisotopic Mass

-6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.05300 153.5
[M+Na]+ 282.03494 158.6
[M-H]- 258.03844 149.4
[M+NH4]+ 277.07954 165.5
[M+K]+ 298.00888 158.8
[M+H-H2O]+ 242.04298 146.1
[M+HCOO]- 304.04392 171.5
[M+CH3COO]- 318.05957 186.2
[M+Na-2H]- 280.02039 153.6
[M]+ 259.04517 150.7
[M]- 259.04627 150.7
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

patents stripe