CID 16729249

(3ar,5r,6r,6as)-5-(hydroxymethyl)-2-icosoxy-2-oxo-3a,5,6,6a-tetrahydro-3h-furo[2,3-d]oxaphosphol-6-ol

Structural Information

Molecular Formula
C26H51O6P
SMILES
CCCCCCCCCCCCCCCCCCCCOP1(=O)C[C@H]2[C@@H](O1)[C@@H]([C@H](O2)CO)O
InChI
InChI=1S/C26H51O6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-30-33(29)22-24-26(32-33)25(28)23(21-27)31-24/h23-28H,2-22H2,1H3/t23-,24+,25-,26-,33?/m1/s1
InChIKey
SKKXMLJVFHLODY-WOQITYEMSA-N
Compound name
(3aR,5R,6R,6aS)-5-(hydroxymethyl)-2-icosoxy-2-oxo-3a,5,6,6a-tetrahydro-3H-furo[2,3-d]oxaphosphol-6-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

490.34232 Da
Monoisotopic Mass

8.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 491.34960 231.3
[M+Na]+ 513.33154 230.9
[M-H]- 489.33504 229.7
[M+NH4]+ 508.37614 241.7
[M+K]+ 529.30548 228.0
[M+H-H2O]+ 473.33958 223.6
[M+HCOO]- 535.34052 248.0
[M+CH3COO]- 549.35617 237.2
[M+Na-2H]- 511.31699 223.9
[M]+ 490.34177 240.8
[M]- 490.34287 240.8
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.