CID 90658394

6'''-hydroxyparmomomycin

Structural Information

Molecular Formula
C23H44N4O15
SMILES
C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)N)O[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)N)O)O)N
InChI
InChI=1S/C23H44N4O15/c24-5-1-6(25)18(40-21-10(26)15(34)13(32)7(2-28)37-21)20(12(5)31)42-23-17(36)19(9(4-30)39-23)41-22-11(27)16(35)14(33)8(3-29)38-22/h5-23,28-36H,1-4,24-27H2/t5-,6+,7-,8-,9-,10-,11-,12+,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23+/m1/s1
InChIKey
VCHIDEKSPVNIGR-VZXHOKRSSA-N
Compound name
(2R,3S,4R,5R,6S)-5-amino-6-[(1R,2R,3S,4R,6S)-4,6-diamino-2-[(2S,3R,4S,5R)-4-[(2R,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxycyclohexyl]oxy-2-(hydroxymethyl)oxane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

2
References

0
Patents

616.28033 Da
Monoisotopic Mass

-8.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 617.28761 237.9
[M+Na]+ 639.26955 236.8
[M-H]- 615.27305 230.7
[M+NH4]+ 634.31415 237.6
[M+K]+ 655.24349 246.9
[M+H-H2O]+ 599.27759 231.1
[M+HCOO]- 661.27853 239.2
[M+CH3COO]- 675.29418 243.0
[M+Na-2H]- 637.25500 267.0
[M]+ 616.27978 239.8
[M]- 616.28088 239.8
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.