CID 493505

Methyl 2-[[[(2r,3s,5r)-5-[3-[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]propyl]-5-methyl-2,4-dioxo-pyrimidin-1-yl]-3-hydroxy-tetrahydrofuran-2-yl]methoxy-phenoxy-phosphoryl]amino]propanoate

Structural Information

Molecular Formula
C47H73N6O17PSSi2
SMILES
CC1=CN(C(=O)N(C1=O)CCCN2C(=O)C(=CN(C2=O)[C@H]3[C@@H](C4([C@H](O3)CO[Si](C)(C)C(C)(C)C)C(=CS(=O)(=O)O4)N)O[Si](C)(C)C(C)(C)C)C)[C@H]5C[C@@H]([C@H](O5)COP(=O)(NC(C)C(=O)OC)OC6=CC=CC=C6)O
InChI
InChI=1S/C47H73N6O17PSSi2/c1-29-24-52(37-23-33(54)34(66-37)26-64-71(60,49-31(3)42(57)63-10)68-32-19-16-15-17-20-32)43(58)50(39(29)55)21-18-22-51-40(56)30(2)25-53(44(51)59)41-38(69-74(13,14)46(7,8)9)47(35(48)28-72(61,62)70-47)36(67-41)27-65-73(11,12)45(4,5)6/h15-17,19-20,24-25,28,31,33-34,36-38,41,54H,18,21-23,26-27,48H2,1-14H3,(H,49,60)/t31?,33-,34+,36+,37+,38-,41+,47?,71?/m0/s1
InChIKey
HLZRHSHVADLLTF-QZSTXPHXSA-N
Compound name
methyl 2-[[[(2R,3S,5R)-5-[3-[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]propyl]-5-methyl-2,4-dioxopyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

1112.403 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1113.4103 274.9
[M+Na]+ 1135.3922 285.2
[M-H]- 1111.3957 279.2
[M+NH4]+ 1130.4368 279.4
[M+K]+ 1151.3662 273.0
[M+H-H2O]+ 1095.4003 263.4
[M+HCOO]- 1157.4012 280.2
[M+CH3COO]- 1171.4169 283.0
[M+Na-2H]- 1133.3777 286.5
[M]+ 1112.4025 292.7
[M]- 1112.4035 292.7
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

No patent data available for this compound.