CID 155903777

117467-64-8

Structural Information

Molecular Formula
C30H57N5O21
SMILES
C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)N)O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)N)O[C@@H]4[C@H](O[C@H]([C@@H]([C@H]4O)N)O[C@H]([C@@H](CO)O)[C@@H]([C@H](C=O)N)O)CO)CO)CO)N)O)O)O
InChI
InChI=1S/C30H57N5O21/c31-7(1-36)17(43)23(8(42)2-37)53-28-14(33)20(46)25(10(4-39)50-28)55-30-16(35)22(48)26(12(6-41)52-30)56-29-15(34)21(47)24(11(5-40)51-29)54-27-13(32)19(45)18(44)9(3-38)49-27/h1,7-30,37-48H,2-6,31-35H2/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
QWJDZWJRVXIXQW-NXGGGWQFSA-N
Compound name
(2R,3R,4S,5R)-2-amino-4-[(2S,3R,4R,5S,6R)-3-amino-5-[(2S,3R,4R,5S,6R)-3-amino-5-[(2S,3R,4R,5S,6R)-3-amino-5-[(2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5,6-trihydroxyhexanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

823.3546 Da
Monoisotopic Mass

-12.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 824.36188 264.3
[M+Na]+ 846.34382 265.4
[M+NH4]+ 841.38842 266.8
[M+K]+ 862.31776 267.6
[M-H]- 822.34732 260.0
[M+Na-2H]- 844.32927 288.3
[M]+ 823.35405 265.3
[M]- 823.35515 265.3
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.