CID 3009907

Streptidine-oxyethyl .beta.-d-glucopyranoside

Structural Information

Molecular Formula
C16H32N6O10
SMILES
C(CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O[C@@H]2[C@H]([C@@H]([C@H]([C@@H]([C@H]2O)O)N=C(N)N)O)N=C(N)N
InChI
InChI=1S/C16H32N6O10/c17-15(18)21-5-8(25)6(22-16(19)20)13(11(28)9(5)26)30-1-2-31-14-12(29)10(27)7(24)4(3-23)32-14/h4-14,23-29H,1-3H2,(H4,17,18,21)(H4,19,20,22)/t4-,5-,6+,7-,8-,9+,10+,11-,12-,13-,14-/m1/s1
InChIKey
YPEJRMXEAASBSX-FWGDUNOVSA-N
Compound name
2-[(1S,2R,3R,4S,5R,6R)-3-(diaminomethylideneamino)-2,4,5-trihydroxy-6-[2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]cyclohexyl]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

468.218 Da
Monoisotopic Mass

-7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 469.22528 207.2
[M+Na]+ 491.20722 206.4
[M-H]- 467.21072 200.3
[M+NH4]+ 486.25182 207.1
[M+K]+ 507.18116 211.2
[M+H-H2O]+ 451.21526 194.6
[M+HCOO]- 513.21620 209.3
[M+CH3COO]- 527.23185 250.1
[M+Na-2H]- 489.19267 240.3
[M]+ 468.21745 217.9
[M]- 468.21855 217.9
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.