CID 512279

1-[[(2r,3s,4s,5r,6r)-3,4,5-trihydroxy-6-[(2s,3s,4r,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]methyl]guanidine

Structural Information

Molecular Formula
C13H25N3O10
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](O2)CO)O)O)O)O)O)O)N=C(N)N
InChI
InChI=1S/C13H25N3O10/c14-13(15)16-1-3-5(18)7(20)9(22)11(24-3)26-12-10(23)8(21)6(19)4(2-17)25-12/h3-12,17-23H,1-2H2,(H4,14,15,16)/t3-,4-,5-,6+,7+,8-,9-,10+,11-,12+/m1/s1
InChIKey
MUCDQAALOPJUOW-BCHYZRIQSA-N
Compound name
2-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(2S,3S,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

383.154 Da
Monoisotopic Mass

-5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.16128 188.1
[M+Na]+ 406.14322 189.5
[M-H]- 382.14672 186.9
[M+NH4]+ 401.18782 191.7
[M+K]+ 422.11716 190.7
[M+H-H2O]+ 366.15126 180.1
[M+HCOO]- 428.15220 195.4
[M+CH3COO]- 442.16785 220.4
[M+Na-2H]- 404.12867 183.5
[M]+ 383.15345 181.5
[M]- 383.15455 181.5
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

No patent data available for this compound.