CID 16077357

A-d-glucopyranoside, (1r,2r,3r,4r,5r)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl 2-deoxy-2-[(2-furanylcarbonyl)amino]-

Structural Information

Molecular Formula
C18H27NO11
SMILES
C1[C@@H]([C@H]([C@H]([C@H](C1O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)NC(=O)C3=CC=CO3)O)O)O)CO
InChI
InChI=1S/C18H27NO11/c20-5-7-4-9(13(23)16(26)12(7)22)29-18-11(15(25)14(24)10(6-21)30-18)19-17(27)8-2-1-3-28-8/h1-3,7,9-16,18,20-26H,4-6H2,(H,19,27)/t7-,9?,10-,11-,12-,13+,14-,15-,16-,18+/m1/s1
InChIKey
YUSLSSLDMXZMNF-YBQPKVMBSA-N
Compound name
N-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(2R,3R,4R,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxyoxan-3-yl]furan-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

433.15842 Da
Monoisotopic Mass

-2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 434.16570 195.7
[M+Na]+ 456.14764 196.5
[M-H]- 432.15114 197.3
[M+NH4]+ 451.19224 198.9
[M+K]+ 472.12158 197.1
[M+H-H2O]+ 416.15568 188.9
[M+HCOO]- 478.15662 201.4
[M+CH3COO]- 492.17227 220.2
[M+Na-2H]- 454.13309 190.6
[M]+ 433.15787 192.1
[M]- 433.15897 192.1
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.