CID 3068764

Diposin 1

Structural Information

Molecular Formula
C19H33NO14
SMILES
C1=C([C@H]([C@@H]([C@H]([C@H]1N[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O[C@H]([C@@H](CO)O)[C@@H]([C@H](C=O)O)O)CO)O)O)O)CO
InChI
InChI=1S/C19H33NO14/c21-2-6-1-7(13(28)16(31)12(6)27)20-11-10(5-24)33-19(17(32)15(11)30)34-18(9(26)4-23)14(29)8(25)3-22/h1,3,7-21,23-32H,2,4-5H2/t7-,8-,9+,10+,11+,12+,13-,14+,15-,16-,17+,18+,19+/m0/s1
InChIKey
GDEQRGXFOXVCHI-LCUBOTEESA-N
Compound name
(2R,3R,4R,5R)-4-[(2R,3R,4S,5S,6S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino]oxan-2-yl]oxy-2,3,5,6-tetrahydroxyhexanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

499.1901 Da
Monoisotopic Mass

-7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 500.19738 207.8
[M+Na]+ 522.17932 207.7
[M-H]- 498.18282 202.9
[M+NH4]+ 517.22392 207.6
[M+K]+ 538.15326 206.4
[M+H-H2O]+ 482.18736 194.9
[M+HCOO]- 544.18830 210.0
[M+CH3COO]- 558.20395 232.6
[M+Na-2H]- 520.16477 233.1
[M]+ 499.18955 212.9
[M]- 499.19065 212.9
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