CID 52940204

Beta-d-glcp-(1->4)-alpha-l-rhap-(1->3)-beta-d-glcp

Structural Information

Molecular Formula
C18H32O15
SMILES
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]2[C@@H]([C@H](O[C@H]([C@@H]2O)O)CO)O)O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O
InChI
InChI=1S/C18H32O15/c1-4-14(32-18-11(25)9(23)7(21)5(2-19)31-18)10(24)12(26)17(29-4)33-15-8(22)6(3-20)30-16(28)13(15)27/h4-28H,2-3H2,1H3/t4-,5+,6+,7+,8+,9-,10-,11+,12+,13+,14-,15-,16+,17-,18-/m0/s1
InChIKey
CWVRQJBCBCTFLT-XXFCETQUSA-N
Compound name
(2R,3R,4S,5R,6R)-4-[(2S,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)oxane-2,3,5-triol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

488.17413 Da
Monoisotopic Mass

-5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 489.18141 211.3
[M+Na]+ 511.16335 210.9
[M-H]- 487.16685 202.8
[M+NH4]+ 506.20795 210.2
[M+K]+ 527.13729 211.3
[M+H-H2O]+ 471.17139 205.2
[M+HCOO]- 533.17233 212.7
[M+CH3COO]- 547.18798 231.1
[M+Na-2H]- 509.14880 234.9
[M]+ 488.17358 207.1
[M]- 488.17468 207.1
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.