CID 3011294

Tetra-o-benzyl-alditol 17

Structural Information

Molecular Formula
C34H38O5
SMILES
C1=CC=C(C=C1)COC[C@H](C[C@@H]([C@@H](COCC2=CC=CC=C2)OCC3=CC=CC=C3)O)OCC4=CC=CC=C4
InChI
InChI=1S/C34H38O5/c35-33(34(39-25-31-19-11-4-12-20-31)27-37-23-29-15-7-2-8-16-29)21-32(38-24-30-17-9-3-10-18-30)26-36-22-28-13-5-1-6-14-28/h1-20,32-35H,21-27H2/t32-,33-,34+/m0/s1
InChIKey
BLIIQEUSAXTXKP-DHWXLLNHSA-N
Compound name
(2R,3S,5S)-1,2,5,6-tetrakis(phenylmethoxy)hexan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

526.2719 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 527.27918 232.9
[M+Na]+ 549.26112 230.3
[M-H]- 525.26462 240.6
[M+NH4]+ 544.30572 234.8
[M+K]+ 565.23506 225.5
[M+H-H2O]+ 509.26916 219.2
[M+HCOO]- 571.27010 248.4
[M+CH3COO]- 585.28575 242.3
[M+Na-2H]- 547.24657 231.0
[M]+ 526.27135 235.4
[M]- 526.27245 235.4
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.