CID 146037039

Gdp-alpha-d-lincosamide

Structural Information

Molecular Formula
C18H30N6O16P2
SMILES
C[C@H]([C@H]([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C3N=C(NC4=O)N)O)O)O)O)O)N)O
InChI
InChI=1S/C18H30N6O16P2/c1-4(25)6(19)13-10(28)9(27)12(30)17(38-13)39-42(34,35)40-41(32,33)36-2-5-8(26)11(29)16(37-5)24-3-21-7-14(24)22-18(20)23-15(7)31/h3-6,8-13,16-17,25-30H,2,19H2,1H3,(H,32,33)(H,34,35)(H3,20,22,23,31)/t4-,5-,6-,8-,9+,10-,11-,12-,13-,16-,17-/m1/s1
InChIKey
JEOJYHIQZARGEY-IFWZHRFOSA-N
Compound name
[(2R,3R,4S,5R,6R)-6-[(1R,2R)-1-amino-2-hydroxypropyl]-3,4,5-trihydroxyoxan-2-yl] [[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

648.1193 Da
Monoisotopic Mass

-8.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 649.12658 228.8
[M+Na]+ 671.10852 230.3
[M-H]- 647.11202 223.6
[M+NH4]+ 666.15312 228.2
[M+K]+ 687.08246 231.6
[M+H-H2O]+ 631.11656 216.1
[M+HCOO]- 693.11750 230.1
[M+CH3COO]- 707.13315 234.1
[M+Na-2H]- 669.09397 231.4
[M]+ 648.11875 226.0
[M]- 648.11985 226.0
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.