CID 3012871

.beta.-d-glucopyranoside, phenyl 6-deoxy-6-[[(2s)-2-[[(1,1-dimethylethoxy)carbonyl]amino]-3-methyl-1-oxobutyl]amino]-4-o-methyl-3-o-(phenylmethyl)-

Structural Information

Molecular Formula
C30H42N2O8
SMILES
CC(C)[C@@H](C(=O)NC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC2=CC=CC=C2)O)OCC3=CC=CC=C3)OC)NC(=O)OC(C)(C)C
InChI
InChI=1S/C30H42N2O8/c1-19(2)23(32-29(35)40-30(3,4)5)27(34)31-17-22-25(36-6)26(37-18-20-13-9-7-10-14-20)24(33)28(39-22)38-21-15-11-8-12-16-21/h7-16,19,22-26,28,33H,17-18H2,1-6H3,(H,31,34)(H,32,35)/t22-,23+,24-,25-,26-,28-/m1/s1
InChIKey
WOVVMXFPMYFGGL-CWEZWLNASA-N
Compound name
tert-butyl N-[(2S)-1-[[(2R,3R,4R,5R,6S)-5-hydroxy-3-methoxy-6-phenoxy-4-phenylmethoxyoxan-2-yl]methylamino]-3-methyl-1-oxobutan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

558.2941 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 559.30138 235.5
[M+Na]+ 581.28332 233.1
[M-H]- 557.28682 242.2
[M+NH4]+ 576.32792 236.0
[M+K]+ 597.25726 234.7
[M+H-H2O]+ 541.29136 224.6
[M+HCOO]- 603.29230 247.1
[M+CH3COO]- 617.30795 257.0
[M+Na-2H]- 579.26877 231.4
[M]+ 558.29355 238.8
[M]- 558.29465 238.8
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.