CID 11015594

(2r,3r,4r)-3,4-bis(benzyloxy)-2-((benzyloxy)methyl)-5-methoxytetrahydrofuran

Structural Information

Molecular Formula
C27H30O5
SMILES
COC1[C@@H]([C@@H]([C@H](O1)COCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4
InChI
InChI=1S/C27H30O5/c1-28-27-26(31-19-23-15-9-4-10-16-23)25(30-18-22-13-7-3-8-14-22)24(32-27)20-29-17-21-11-5-2-6-12-21/h2-16,24-27H,17-20H2,1H3/t24-,25-,26-,27?/m1/s1
InChIKey
DJVKHGGGJZLGII-YGENNMJRSA-N
Compound name
(3R,4R,5R)-2-methoxy-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

50
Patents

434.20932 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.21660 206.3
[M+Na]+ 457.19854 209.7
[M-H]- 433.20204 218.4
[M+NH4]+ 452.24314 215.0
[M+K]+ 473.17248 206.7
[M+H-H2O]+ 417.20658 195.4
[M+HCOO]- 479.20752 226.5
[M+CH3COO]- 493.22317 226.7
[M+Na-2H]- 455.18399 205.8
[M]+ 434.20877 210.8
[M]- 434.20987 210.8
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