CID 503798

(2r,3r,4r,5r)-2,5-bis-benzyloxy-3,4-dihydroxy-hexanedioic acid bis-[((3s,5s)-5-hydroxymethyl-tetrahydro-furan-3-yl)-amide]

Structural Information

Molecular Formula
C30H40N2O10
SMILES
C1[C@@H](CO[C@@H]1CO)NC(=O)[C@@H]([C@@H]([C@H]([C@H](C(=O)NC2C[C@H](OC2)CO)OCC3=CC=CC=C3)O)O)OCC4=CC=CC=C4
InChI
InChI=1S/C30H40N2O10/c33-13-23-11-21(17-39-23)31-29(37)27(41-15-19-7-3-1-4-8-19)25(35)26(36)28(42-16-20-9-5-2-6-10-20)30(38)32-22-12-24(14-34)40-18-22/h1-10,21-28,33-36H,11-18H2,(H,31,37)(H,32,38)/t21-,22?,23-,24-,25+,26+,27+,28+/m0/s1
InChIKey
VNTJVUVJPTZEKO-DLYITBFFSA-N
Compound name
(2R,3R,4R,5R)-3,4-dihydroxy-N-[(3S,5S)-5-(hydroxymethyl)oxolan-3-yl]-N'-[(5S)-5-(hydroxymethyl)oxolan-3-yl]-2,5-bis(phenylmethoxy)hexanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

588.2683 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 589.27558 231.7
[M+Na]+ 611.25752 223.9
[M-H]- 587.26102 238.2
[M+NH4]+ 606.30212 229.7
[M+K]+ 627.23146 227.0
[M+H-H2O]+ 571.26556 223.4
[M+HCOO]- 633.26650 239.4
[M+CH3COO]- 647.28215 252.4
[M+Na-2H]- 609.24297 223.4
[M]+ 588.26775 229.7
[M]- 588.26885 229.7
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.