CID 24892777

Dtdp-l-rhodinose

Structural Information

Molecular Formula
C16H26N2O13P2
SMILES
C[C@H]1[C@H](CC[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
InChI
InChI=1S/C16H26N2O13P2/c1-8-6-18(16(22)17-15(8)21)13-5-11(20)12(29-13)7-27-32(23,24)31-33(25,26)30-14-4-3-10(19)9(2)28-14/h6,9-14,19-20H,3-5,7H2,1-2H3,(H,23,24)(H,25,26)(H,17,21,22)/t9-,10-,11-,12+,13+,14+/m0/s1
InChIKey
ANSAJFYVUGUZQP-QEHJDLSMSA-N
Compound name
[hydroxy-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] [(2R,5S,6S)-5-hydroxy-6-methyloxan-2-yl] hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

516.091 Da
Monoisotopic Mass

-2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 517.09828 205.4
[M+Na]+ 539.08022 206.4
[M-H]- 515.08372 205.1
[M+NH4]+ 534.12482 204.3
[M+K]+ 555.05416 210.4
[M+H-H2O]+ 499.08826 193.3
[M+HCOO]- 561.08920 220.7
[M+CH3COO]- 575.10485 233.4
[M+Na-2H]- 537.06567 212.6
[M]+ 516.09045 207.3
[M]- 516.09155 207.3
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.