CID 9574685

(1s,2s,3r,4s,6r,7r)-3,6-dibenzyl-2,7-bis[(4-hydroxyphenyl)methyl]-1-oxo-8-oxa-2,7-diaza-1$l^{5}-phosphabicyclo[3.2.1]octan-4-ol

Structural Information

Molecular Formula
C32H33N2O5P
SMILES
C1=CC=C(C=C1)C[C@@H]2[C@@H](C3[C@H](N([P@](=O)(N2CC4=CC=C(C=C4)O)O3)CC5=CC=C(C=C5)O)CC6=CC=CC=C6)O
InChI
InChI=1S/C32H33N2O5P/c35-27-15-11-25(12-16-27)21-33-29(19-23-7-3-1-4-8-23)31(37)32-30(20-24-9-5-2-6-10-24)34(40(33,38)39-32)22-26-13-17-28(36)18-14-26/h1-18,29-32,35-37H,19-22H2/t29-,30-,31+,32?,40+/m1/s1
InChIKey
ONQTZPXYRUOCSA-GIMCHVKNSA-N
Compound name
(1S,3R,4S,6R)-3,6-dibenzyl-2,7-bis[(4-hydroxyphenyl)methyl]-1-oxo-8-oxa-2,7-diaza-1lambda5-phosphabicyclo[3.2.1]octan-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

556.2127 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 557.21998 235.8
[M+Na]+ 579.20192 239.1
[M-H]- 555.20542 243.3
[M+NH4]+ 574.24652 238.3
[M+K]+ 595.17586 233.4
[M+H-H2O]+ 539.20996 220.0
[M+HCOO]- 601.21090 249.0
[M+CH3COO]- 615.22655 239.8
[M+Na-2H]- 577.18737 229.3
[M]+ 556.21215 233.7
[M]- 556.21325 233.7
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.