CID 452576

5'meovalpo3(me)azt

Structural Information

Molecular Formula
C17H27N6O8P
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(N[C@@H](C(C)C)C(=O)OC)OC)N=[N+]=[N-]
InChI
InChI=1S/C17H27N6O8P/c1-9(2)14(16(25)28-4)21-32(27,29-5)30-8-12-11(20-22-18)6-13(31-12)23-7-10(3)15(24)19-17(23)26/h7,9,11-14H,6,8H2,1-5H3,(H,21,27)(H,19,24,26)/t11-,12+,13+,14-,32?/m0/s1
InChIKey
QMKMWMAUEGXEAV-QJXKVZGKSA-N
Compound name
methyl (2S)-2-[[[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-methoxyphosphoryl]amino]-3-methylbutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

474.1628 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 475.17008 201.9
[M+Na]+ 497.15202 203.7
[M-H]- 473.15552 207.3
[M+NH4]+ 492.19662 228.8
[M+K]+ 513.12596 200.6
[M+H-H2O]+ 457.16006 194.7
[M+HCOO]- 519.16100 241.2
[M+CH3COO]- 533.17665 238.1
[M+Na-2H]- 495.13747 205.0
[M]+ 474.16225 204.3
[M]- 474.16335 204.3
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.