CID 509194

8-(methoxycarbonyl)octyl 5-deoxy-5-(1,4-dideoxy-1,4-imino-d-arabinitol-n-yl)-.alpha.-d-arabinofuranoside

Structural Information

Molecular Formula
C20H37NO9
SMILES
COC(=O)CCCCCCCCO[C@@H]1[C@H]([C@@H]([C@H](O1)CN2C[C@H]([C@@H]([C@H]2CO)O)O)O)O
InChI
InChI=1S/C20H37NO9/c1-28-16(24)8-6-4-2-3-5-7-9-29-20-19(27)18(26)15(30-20)11-21-10-14(23)17(25)13(21)12-22/h13-15,17-20,22-23,25-27H,2-12H2,1H3/t13-,14-,15-,17-,18-,19+,20+/m1/s1
InChIKey
UISITKULOJZQEY-CJSYXLNHSA-N
Compound name
methyl 9-[(2S,3S,4S,5R)-5-[[(2R,3R,4R)-3,4-dihydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-3,4-dihydroxyoxolan-2-yl]oxynonanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

435.24683 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 436.25411 202.3
[M+Na]+ 458.23605 203.3
[M-H]- 434.23955 200.6
[M+NH4]+ 453.28065 209.4
[M+K]+ 474.20999 201.9
[M+H-H2O]+ 418.24409 196.3
[M+HCOO]- 480.24503 211.2
[M+CH3COO]- 494.26068 219.3
[M+Na-2H]- 456.22150 194.2
[M]+ 435.24628 205.2
[M]- 435.24738 205.2
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.