CID 87397973

Dtxsid601035860

Structural Information

Molecular Formula
C30H28O10P2
SMILES
C1[C@H]([C@@H]2[C@H](O1)[C@H](CO2)OP(=O)(OC3=CC=CC=C3)OC4=CC=CC=C4)OP(=O)(OC5=CC=CC=C5)OC6=CC=CC=C6
InChI
InChI=1S/C30H28O10P2/c31-41(35-23-13-5-1-6-14-23,36-24-15-7-2-8-16-24)39-27-21-33-30-28(22-34-29(27)30)40-42(32,37-25-17-9-3-10-18-25)38-26-19-11-4-12-20-26/h1-20,27-30H,21-22H2/t27-,28+,29-,30-/m1/s1
InChIKey
KZGIAKZTZNBGFA-GOGZTAQTSA-N
Compound name
[(3S,3aS,6R,6aS)-3-diphenoxyphosphoryloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] diphenyl phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

610.1158 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 611.12308 227.1
[M+Na]+ 633.10502 225.8
[M-H]- 609.10852 240.8
[M+NH4]+ 628.14962 228.6
[M+K]+ 649.07896 229.9
[M+H-H2O]+ 593.11306 212.8
[M+HCOO]- 655.11400 251.7
[M+CH3COO]- 669.12965 253.0
[M+Na-2H]- 631.09047 225.6
[M]+ 610.11525 231.4
[M]- 610.11635 231.4
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

patents stripe