CID 78080281

Muparfostat

Structural Information

Molecular Formula
C18H33O49PS10
SMILES
C(C1C(C(C(C(O1)OC2C(C(OC(C2OS(=O)(=O)O)OC3C(C(C(OC3OS(=O)(=O)O)COS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)COS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OP(=O)(O)O
InChI
InChI=1S/C18H33O49PS10/c19-68(20,21)52-1-4-8(61-72(31,32)33)12(64-75(40,41)42)15(66-77(46,47)48)17(55-4)58-10-7(60-71(28,29)30)5(2-53-69(22,23)24)56-16(14(10)65-76(43,44)45)59-13-11(63-74(37,38)39)9(62-73(34,35)36)6(3-54-70(25,26)27)57-18(13)67-78(49,50)51/h4-18H,1-3H2,(H2,19,20,21)(H,22,23,24)(H,25,26,27)(H,28,29,30)(H,31,32,33)(H,34,35,36)(H,37,38,39)(H,40,41,42)(H,43,44,45)(H,46,47,48)(H,49,50,51)
InChIKey
RIYITPRTNFEGIA-UHFFFAOYSA-N
Compound name
[6-[3,5-disulfooxy-2-(sulfooxymethyl)-6-[2,4,5-trisulfooxy-6-(sulfooxymethyl)oxan-3-yl]oxyoxan-4-yl]oxy-3,4,5-trisulfooxyoxan-2-yl]methyl dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

60
References

0
Patents

1383.7035 Da
Monoisotopic Mass

-12.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1384.7108 238.9
[M+Na]+ 1406.6927 246.1
[M-H]- 1382.6962 245.5
[M+NH4]+ 1401.7373 243.4
[M+K]+ 1422.6667 239.2
[M+H-H2O]+ 1366.7008 242.8
[M+HCOO]- 1428.7017 245.0
[M+CH3COO]- 1442.7174 247.4
[M+Na-2H]- 1404.6782 257.8
[M]+ 1383.7030 244.8
[M]- 1383.7040 244.8
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.