CID 470215

(2s,3s,4s,5r)-2-[(1r)-2-benzyloxy-1-[(3r,4s,5s)-3,4-dibenzyloxy-5-octoxy-tetrahydrofuran-2-yl]ethoxy]-5-[(1s)-1,2-dihydroxyethyl]tetrahydrofuran-3,4-diol

Structural Information

Molecular Formula
C41H56O11
SMILES
CCCCCCCCO[C@@H]1[C@H]([C@@H](C(O1)[C@@H](COCC2=CC=CC=C2)O[C@@H]3[C@H]([C@@H]([C@H](O3)[C@H](CO)O)O)O)OCC4=CC=CC=C4)OCC5=CC=CC=C5
InChI
InChI=1S/C41H56O11/c1-2-3-4-5-6-16-23-47-41-39(49-27-31-21-14-9-15-22-31)38(48-26-30-19-12-8-13-20-30)37(52-41)33(28-46-25-29-17-10-7-11-18-29)50-40-35(45)34(44)36(51-40)32(43)24-42/h7-15,17-22,32-45H,2-6,16,23-28H2,1H3/t32-,33+,34-,35-,36+,37?,38+,39-,40-,41-/m0/s1
InChIKey
FNPRDTVMWPDVLS-USOKMPRBSA-N
Compound name
(2R,3S,4S,5S)-2-[(1S)-1,2-dihydroxyethyl]-5-[(1R)-1-[(3R,4S,5S)-5-octoxy-3,4-bis(phenylmethoxy)oxolan-2-yl]-2-phenylmethoxyethoxy]oxolane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

724.38226 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 725.38954 267.8
[M+Na]+ 747.37148 261.3
[M-H]- 723.37498 276.9
[M+NH4]+ 742.41608 261.3
[M+K]+ 763.34542 262.3
[M+H-H2O]+ 707.37952 257.5
[M+HCOO]- 769.38046 274.1
[M+CH3COO]- 783.39611 273.3
[M+Na-2H]- 745.35693 256.3
[M]+ 724.38171 274.2
[M]- 724.38281 274.2
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.