CID 16077364

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

Structural Information

Molecular Formula
C24H31NO10
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=CC4=CC=CC=C4C=C3)O)O)O)CO
InChI
InChI=1S/C24H31NO10/c26-9-14-8-15(19(29)22(32)18(14)28)34-24-17(21(31)20(30)16(10-27)35-24)25-23(33)13-6-5-11-3-1-2-4-12(11)7-13/h1-7,14-22,24,26-32H,8-10H2,(H,25,33)/t14-,15?,16-,17-,18-,19+,20-,21-,22-,24+/m1/s1
InChIKey
CSUWNXWLDBLKDX-DOXGEHTCSA-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]naphthalene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

493.1948 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 494.20208 212.2
[M+Na]+ 516.18402 212.8
[M-H]- 492.18752 213.3
[M+NH4]+ 511.22862 213.4
[M+K]+ 532.15796 211.8
[M+H-H2O]+ 476.19206 203.4
[M+HCOO]- 538.19300 215.3
[M+CH3COO]- 552.20865 235.0
[M+Na-2H]- 514.16947 207.8
[M]+ 493.19425 207.2
[M]- 493.19535 207.2
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.