CID 134820958

C30

Structural Information

Molecular Formula
C38H77NO12P2
SMILES
CC(C)CCCC(C)CCCC(C)CCCC(C)CCCC(C)CCCC(C)CCOP(=O)(O)OP(=O)(O)O[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)NC(=O)C
InChI
InChI=1S/C38H77NO12P2/c1-27(2)14-9-15-28(3)16-10-17-29(4)18-11-19-30(5)20-12-21-31(6)22-13-23-32(7)24-25-48-52(44,45)51-53(46,47)50-38-35(39-33(8)41)37(43)36(42)34(26-40)49-38/h27-32,34-38,40,42-43H,9-26H2,1-8H3,(H,39,41)(H,44,45)(H,46,47)/t28?,29?,30?,31?,32?,34-,35-,36-,37-,38-/m1/s1
InChIKey
LLYQJQJBCVWXPZ-PVHPPTMHSA-N
Compound name
[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] [3,7,11,15,19,23-hexamethyltetracosoxy(hydroxy)phosphoryl] hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

801.4921 Da
Monoisotopic Mass

9.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 802.49938 277.2
[M+Na]+ 824.48132 278.6
[M+NH4]+ 819.52592 284.2
[M+K]+ 840.45526 278.7
[M-H]- 800.48482 276.6
[M+Na-2H]- 822.46677 278.6
[M]+ 801.49155 278.0
[M]- 801.49265 278.0
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.