CID 3010619

3-[3-[(1r,3r,4r)-6-amino-4-[tert-butyl(dimethyl)silyl]oxy-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-8,8-dioxo-2,9-dioxa-8$l^{6}-thiaspiro[4.4]non-6-en-3-yl]-5-methyl-2,6-dioxo-pyrimidin-1-yl]propoxy-methoxycarbonyl-phosphinic acid

Structural Information

Molecular Formula
C29H52N3O13PSSi2
SMILES
CC1=CN(C(=O)N(C1=O)CCCOP(=O)(C(=O)OC)O)[C@H]2[C@@H](C3([C@H](O2)CO[Si](C)(C)C(C)(C)C)C(=CS(=O)(=O)O3)N)O[Si](C)(C)C(C)(C)C
InChI
InChI=1S/C29H52N3O13PSSi2/c1-19-16-32(25(34)31(23(19)33)14-13-15-41-46(36,37)26(35)40-8)24-22(44-49(11,12)28(5,6)7)29(20(30)18-47(38,39)45-29)21(43-24)17-42-48(9,10)27(2,3)4/h16,18,21-22,24H,13-15,17,30H2,1-12H3,(H,36,37)/t21-,22+,24-,29?/m1/s1
InChIKey
VAWQHGBUNNNRMH-XIDMQRTMSA-N
Compound name
3-[3-[(6R,8R,9R)-4-amino-9-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dioxo-1,7-dioxa-2lambda6-thiaspiro[4.4]non-3-en-8-yl]-5-methyl-2,6-dioxopyrimidin-1-yl]propoxy-methoxycarbonylphosphinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

769.2497 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 770.25698 221.4
[M+Na]+ 792.23892 230.5
[M-H]- 768.24242 223.3
[M+NH4]+ 787.28352 224.7
[M+K]+ 808.21286 218.5
[M+H-H2O]+ 752.24696 210.1
[M+HCOO]- 814.24790 227.0
[M+CH3COO]- 828.26355 281.1
[M+Na-2H]- 790.22437 232.8
[M]+ 769.24915 229.1
[M]- 769.25025 229.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.