CID 24892737

Dtdp-l-dihydrostreptose

Structural Information

Molecular Formula
C16H26N2O15P2
SMILES
C[C@H]1[C@@]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)(CO)O
InChI
InChI=1S/C16H26N2O15P2/c1-7-4-18(15(23)17-13(7)22)11-3-9(20)10(31-11)5-29-34(25,26)33-35(27,28)32-14-12(21)16(24,6-19)8(2)30-14/h4,8-12,14,19-21,24H,3,5-6H2,1-2H3,(H,25,26)(H,27,28)(H,17,22,23)/t8-,9-,10+,11+,12-,14+,16+/m0/s1
InChIKey
LOULRGSWJAXPFN-JHJMUWKLSA-N
Compound name
[(2R,3R,4S,5S)-3,4-dihydroxy-4-(hydroxymethyl)-5-methyloxolan-2-yl] [hydroxy-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

7
Patents

548.0809 Da
Monoisotopic Mass

-4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 549.088176 200.3
[M+Na]+ 571.070118 203.9
[M-H]- 547.073624 197.7
[M+NH4]+ 566.114723 200.6
[M+K]+ 587.044058 202.3
[M+H-H2O]+ 531.078160 189.0
[M+HCOO]- 593.079101 203.3
[M+CH3COO]- 607.094751 235.6
[M+Na-2H]- 569.055566 203.8
[M]+ 548.08035142 190.7
[M]- 548.08144858 190.7
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