CID 74539970

190852-26-7

Structural Information

Molecular Formula
C30H50O25
SMILES
C([C@H]1[C@@H]([C@H]([C@@H](O1)OC[C@H]2[C@@H]([C@H]([C@@H](O2)OC[C@H]3[C@@H]([C@H]([C@@H](O3)OC[C@H]4[C@@H]([C@H]([C@@H](O4)OC[C@H]5[C@@H]([C@H]([C@@H](O5)OC[C@H]6[C@@H]([C@H]([C@@H](O6)O)O)O)O)O)O)O)O)O)O)O)O)O)O
InChI
InChI=1S/C30H50O25/c31-1-7-13(32)20(39)26(51-7)46-3-9-15(34)22(41)28(53-9)48-5-11-17(36)24(43)30(55-11)49-6-12-18(37)23(42)29(54-12)47-4-10-16(35)21(40)27(52-10)45-2-8-14(33)19(38)25(44)50-8/h7-44H,1-6H2/t7-,8-,9-,10-,11-,12-,13-,14-,15-,16-,17-,18-,19+,20+,21+,22+,23+,24+,25+,26+,27+,28+,29+,30+/m0/s1
InChIKey
ICDSIUURRIXTJR-PNNZJLGLSA-N
Compound name
(2R,3R,4R,5S)-5-[[(2R,3R,4R,5S)-5-[[(2R,3R,4R,5S)-5-[[(2R,3R,4R,5S)-5-[[(2R,3R,4R,5S)-5-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxyoxolan-2-yl]oxymethyl]-3,4-dihydroxyoxolan-2-yl]oxymethyl]-3,4-dihydroxyoxolan-2-yl]oxymethyl]-3,4-dihydroxyoxolan-2-yl]oxymethyl]oxolane-2,3,4-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

810.2641 Da
Monoisotopic Mass

-9.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 811.27138 265.3
[M+Na]+ 833.25332 263.9
[M-H]- 809.25682 266.2
[M+NH4]+ 828.29792 266.8
[M+K]+ 849.22726 289.2
[M+H-H2O]+ 793.26136 266.6
[M+HCOO]- 855.26230 267.5
[M+CH3COO]- 869.27795 270.4
[M+Na-2H]- 831.23877 272.8
[M]+ 810.26355 256.5
[M]- 810.26465 256.5
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

patents stripe