CID 9894277

(4r,6s)-4,6-dibenzyl-5-hydroxy-1,3-bis[[4-(hydroxymethyl)phenyl]methyl]-5-oxo-1,3,5$l^{5}-diazaphosphinan-2-one

Structural Information

Molecular Formula
C33H35N2O5P
SMILES
C1=CC=C(C=C1)C[C@@H]2N(C(=O)N([C@@H](P2(=O)O)CC3=CC=CC=C3)CC4=CC=C(C=C4)CO)CC5=CC=C(C=C5)CO
InChI
InChI=1S/C33H35N2O5P/c36-23-29-15-11-27(12-16-29)21-34-31(19-25-7-3-1-4-8-25)41(39,40)32(20-26-9-5-2-6-10-26)35(33(34)38)22-28-13-17-30(24-37)18-14-28/h1-18,31-32,36-37H,19-24H2,(H,39,40)/t31-,32+
InChIKey
QBVMMOUPVGHZQI-MEKGRNQZSA-N
Compound name
(4S,6R)-4,6-dibenzyl-5-hydroxy-1,3-bis[[4-(hydroxymethyl)phenyl]methyl]-5-oxo-1,3,5lambda5-diazaphosphinan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

570.22833 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 571.23561 242.1
[M+Na]+ 593.21755 244.6
[M-H]- 569.22105 248.7
[M+NH4]+ 588.26215 241.7
[M+K]+ 609.19149 237.2
[M+H-H2O]+ 553.22559 224.5
[M+HCOO]- 615.22653 257.0
[M+CH3COO]- 629.24218 250.0
[M+Na-2H]- 591.20300 235.1
[M]+ 570.22778 238.8
[M]- 570.22888 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.