CID 480943

Octyl 4-o-(.beta.-d-galactofuranosyl)-.alpha.-l-rhamnopyranoside

Structural Information

Molecular Formula
C20H38O10
SMILES
CCCCCCCCOC1C(C(C(C(O1)C)O[C@H]2[C@@H]([C@H]([C@@H](O2)[C@@H](CO)O)O)O)O)O
InChI
InChI=1S/C20H38O10/c1-3-4-5-6-7-8-9-27-19-15(25)13(23)17(11(2)28-19)29-20-16(26)14(24)18(30-20)12(22)10-21/h11-26H,3-10H2,1-2H3/t11?,12-,13?,14-,15?,16-,17?,18+,19?,20-/m1/s1
InChIKey
SUAQVNMIOLQKQH-LVTIAXCOSA-N
Compound name
5-[(2S,3R,4R,5S)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-6-methyl-2-octoxyoxane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

438.2465 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 439.25378 204.1
[M+Na]+ 461.23572 204.6
[M-H]- 437.23922 202.7
[M+NH4]+ 456.28032 208.7
[M+K]+ 477.20966 204.6
[M+H-H2O]+ 421.24376 198.0
[M+HCOO]- 483.24470 209.5
[M+CH3COO]- 497.26035 221.2
[M+Na-2H]- 459.22117 197.0
[M]+ 438.24595 206.1
[M]- 438.24705 206.1
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.