CID 3009908

Streptidine-.beta.-d-glucopyranoside

Structural Information

Molecular Formula
C14H28N6O9
SMILES
C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)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)O)O)O)O
InChI
InChI=1S/C14H28N6O9/c15-13(16)19-3-6(23)4(20-14(17)18)11(9(26)7(3)24)29-12-10(27)8(25)5(22)2(1-21)28-12/h2-12,21-27H,1H2,(H4,15,16,19)(H4,17,18,20)/t2-,3-,4+,5-,6-,7+,8+,9-,10-,11-,12+/m1/s1
InChIKey
YPISYSYFJBUQOZ-PUZXWNNXSA-N
Compound name
2-[(1S,2R,3R,4S,5R,6R)-3-(diaminomethylideneamino)-2,4,5-trihydroxy-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexyl]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

424.19177 Da
Monoisotopic Mass

-7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.19905 199.4
[M+Na]+ 447.18099 198.9
[M-H]- 423.18449 192.5
[M+NH4]+ 442.22559 199.5
[M+K]+ 463.15493 204.0
[M+H-H2O]+ 407.18903 186.9
[M+HCOO]- 469.18997 201.9
[M+CH3COO]- 483.20562 241.7
[M+Na-2H]- 445.16644 232.6
[M]+ 424.19122 211.2
[M]- 424.19232 211.2
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.