CID 169502250

Enoxaparin-tridesulfate depolymerized 5

Structural Information

Molecular Formula
C20H29NO17
SMILES
CC(=O)N[C@@H]1[C@H](C([C@H](O[C@@H]1O[C@H]2[C@@H]([C@H]([C@@H](OC2C(=O)O)O)O)O)CO)O[C@H]3C([C@H](C=C(O3)C(=O)O)O)O)O
InChI
InChI=1S/C20H29NO17/c1-4(23)21-8-10(26)13(37-20-9(25)5(24)2-6(34-20)16(29)30)7(3-22)35-19(8)38-14-11(27)12(28)18(33)36-15(14)17(31)32/h2,5,7-15,18-20,22,24-28,33H,3H2,1H3,(H,21,23)(H,29,30)(H,31,32)/t5-,7+,8+,9?,10+,11+,12+,13?,14-,15?,18+,19+,20-/m0/s1
InChIKey
YRSWOEAETIZYHG-XMGBJFGESA-N
Compound name
(2R,4S)-2-[(2R,4R,5R,6R)-5-acetamido-6-[(3S,4R,5R,6R)-2-carboxy-4,5,6-trihydroxyoxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4-dihydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

555.14355 Da
Monoisotopic Mass

-5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 556.15083 219.6
[M+Na]+ 578.13277 220.0
[M+NH4]+ 573.17737 219.8
[M+K]+ 594.10671 224.3
[M-H]- 554.13627 212.5
[M+Na-2H]- 576.11822 240.3
[M]+ 555.14300 217.7
[M]- 555.14410 217.7
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.