bis(trimethylsilyl) [2-[2-(trimethylsilylamino)-6-trimethylsilyloxypurin-9-yl]-4-trimethylsilyloxy-5-(trimethylsilyloxymethyl)oxolan-3-yl] phosphate

C28H62N5O8PSi6 — CID 6428467

IUPACbis(trimethylsilyl) [2-[2-(trimethylsilylamino)-6-trimethylsilyloxypurin-9-yl]-4-trimethylsilyloxy-5-(trimethylsilyloxymethyl)oxolan-3-yl] phosphate
SMILESC[Si](C)(C)Nc1nc(O[Si](C)(C)C)c2ncn(C3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C3OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)c2n1
InChIInChI=1S/C28H62N5O8PSi6/c1-43(2,3)32-28-30-25-22(26(31-28)39-46(10,11)12)29-20-33(25)27-24(37-42(34,40-47(13,14)15)41-48(16,17)18)23(38-45(7,8)9)21(36-27)19-35-44(4,5)6/h20-21,23-24,27H,19H2,1-18H3,(H,30,31,32)
InChIKeyUKLITVRBLCBDLT-UHFFFAOYSA-N
MW796.32 g/mol
LogP8.45
Rot. Bonds16

About bis(trimethylsilyl) [2-[2-(trimethylsilylamino)-6-trimethylsilyloxypurin-9-yl]-4-trimethylsilyloxy-5-(trimethylsilyloxymethyl)oxolan-3-yl] phosphate

bis(trimethylsilyl) [2-[2-(trimethylsilylamino)-6-trimethylsilyloxypurin-9-yl]-4-trimethylsilyloxy-5-(trimethylsilyloxymethyl)oxolan-3-yl] phosphate (PubChem CID 6428467) has the molecular formula C28H62N5O8PSi6 and a molecular weight of 796.32 g/mol. Its IUPAC name is bis(trimethylsilyl) [2-[2-(trimethylsilylamino)-6-trimethylsilyloxypurin-9-yl]-4-trimethylsilyloxy-5-(trimethylsilyloxymethyl)oxolan-3-yl] phosphate.

Molecular Properties

Compound Namebis(trimethylsilyl) [2-[2-(trimethylsilylamino)-6-trimethylsilyloxypurin-9-yl]-4-trimethylsilyloxy-5-(trimethylsilyloxymethyl)oxolan-3-yl] phosphate
PubChem CID6428467
Molecular FormulaC28H62N5O8PSi6
Molecular Weight796.32 g/mol
Exact Mass795.30
IUPAC Namebis(trimethylsilyl) [2-[2-(trimethylsilylamino)-6-trimethylsilyloxypurin-9-yl]-4-trimethylsilyloxy-5-(trimethylsilyloxymethyl)oxolan-3-yl] phosphate
SMILESC[Si](C)(C)Nc1nc(O[Si](C)(C)C)c2ncn(C3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C3OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)c2n1
InChIInChI=1S/C28H62N5O8PSi6/c1-43(2,3)32-28-30-25-22(26(31-28)39-46(10,11)12)29-20-33(25)27-24(37-42(34,40-47(13,14)15)41-48(16,17)18)23(38-45(7,8)9)21(36-27)19-35-44(4,5)6/h20-21,23-24,27H,19H2,1-18H3,(H,30,31,32)
InChIKeyUKLITVRBLCBDLT-UHFFFAOYSA-N
XLogP8.45
TPSA137.31 Ų
H-Bond Donors1
H-Bond Acceptors13
Rotatable Bonds16
Heavy Atoms48
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500796.32
LogP ≤ 58.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze bis(trimethylsilyl) [2-[2-(trimethylsilylamino)-6-trimethylsilyloxypurin-9-yl]-4-trimethylsilyloxy-5-(trimethylsilyloxymethyl)oxolan-3-yl] phosphate with MolForge

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Related Compounds

9-[(2S,3S,4S,5S)-3,4-bis(trimethylsilyloxy)-5-(trimethylsilyloxymethyl)oxolan-2-yl]-N-trimethylsilyl-6-trimethylsilyloxypurin-2-amine
CID 91746614
9-[(3R,4S,5S)-4-bis(trimethylsilyloxy)phosphoryl-3-trimethylsilyloxy-5-(trimethylsilyloxymethyl)oxolan-2-yl]-N-trimethylsilylpurin-6-amine
CID 91750512
N-trimethylsilyl-6-trimethylsilyloxy-7-[(2R,4S,5R)-4-trimethylsilyloxy-5-(trimethylsilyloxymethyl)oxolan-2-yl]purin-2-amine
CID 6431574
N-trimethylsilyl-6-trimethylsilyloxy-9-(2-trimethylsilyloxyethoxymethyl)purin-2-amine
CID 91754053
9-[5-(ethylsulfanylmethyl)-3,4-bis(trimethylsilyloxy)oxolan-2-yl]-N-trimethylsilylpurin-6-amine
CID 552499
[(2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-(2-chloro-6-methoxypurin-9-yl)oxolan-2-yl]methoxy-tert-butyl-dimethylsilane
CID 139257488
N-trimethylsilyl-9-[(4R,5S)-4-trimethylsilyloxy-5-(trimethylsilyloxymethyl)oxolan-2-yl]purin-6-amine
CID 6431571
trimethyl-[[10-trimethylsilyl-6,12-bis(trimethylsilyloxy)-14-oxa-1,3,5,8,10-pentazatetracyclo[7.6.0.02,7.011,15]pentadeca-2(7),3,5,8-tetraen-13-yl]methoxy]silane
CID 546002
6-[tert-butyl(dimethyl)silyl]oxy-9-[(2R,3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-ethyl-4-methyloxolan-2-yl]purin-2-amine
CID 174151405
[2-(6-amino-2-oxo-1H-purin-9-yl)-4-(methoxymethyl)oxetan-3-yl] dihydrogen phosphate
CID 170376918
trimethyl-[(2R,3R,4R,5R)-4-trimethylsilyloxy-2,5-bis(trimethylsilyloxymethyl)oxolan-3-yl]oxysilane
CID 91750468
2-amino-9-[(2R,4S,5R)-5-ethyl-4-methyl-3-trimethylsilyloxyoxolan-2-yl]-1H-purin-6-one
CID 136608592

Frequently Asked Questions

What is the IUPAC name of bis(trimethylsilyl) [2-[2-(trimethylsilylamino)-6-trimethylsilyloxypurin-9-yl]-4-trimethylsilyloxy-5-(trimethylsilyloxymethyl)oxolan-3-yl] phosphate?
The IUPAC name of bis(trimethylsilyl) [2-[2-(trimethylsilylamino)-6-trimethylsilyloxypurin-9-yl]-4-trimethylsilyloxy-5-(trimethylsilyloxymethyl)oxolan-3-yl] phosphate (CID 6428467) is bis(trimethylsilyl) [2-[2-(trimethylsilylamino)-6-trimethylsilyloxypurin-9-yl]-4-trimethylsilyloxy-5-(trimethylsilyloxymethyl)oxolan-3-yl] phosphate.
What is the SMILES notation for bis(trimethylsilyl) [2-[2-(trimethylsilylamino)-6-trimethylsilyloxypurin-9-yl]-4-trimethylsilyloxy-5-(trimethylsilyloxymethyl)oxolan-3-yl] phosphate?
The canonical SMILES for bis(trimethylsilyl) [2-[2-(trimethylsilylamino)-6-trimethylsilyloxypurin-9-yl]-4-trimethylsilyloxy-5-(trimethylsilyloxymethyl)oxolan-3-yl] phosphate is C[Si](C)(C)Nc1nc(O[Si](C)(C)C)c2ncn(C3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C3OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)c2n1.
What is the InChIKey of bis(trimethylsilyl) [2-[2-(trimethylsilylamino)-6-trimethylsilyloxypurin-9-yl]-4-trimethylsilyloxy-5-(trimethylsilyloxymethyl)oxolan-3-yl] phosphate?
The InChIKey is UKLITVRBLCBDLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H62N5O8PSi6/c1-43(2,3)32-28-30-25-22(26(31-28)39-46(10,11)12)29-20-33(25)27-24(37-42(34,40-47(13,14)15)41-48(16,17)18)23(38-45(7,8)9)21(36-27)19-35-44(4,5)6/h20-21,23-24,27H,19H2,1-18H3,(H,30,31,32).
What are the key properties of bis(trimethylsilyl) [2-[2-(trimethylsilylamino)-6-trimethylsilyloxypurin-9-yl]-4-trimethylsilyloxy-5-(trimethylsilyloxymethyl)oxolan-3-yl] phosphate?
bis(trimethylsilyl) [2-[2-(trimethylsilylamino)-6-trimethylsilyloxypurin-9-yl]-4-trimethylsilyloxy-5-(trimethylsilyloxymethyl)oxolan-3-yl] phosphate has a molecular weight of 796.32 g/mol, XLogP of 8.45, 16 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for bis(trimethylsilyl) [2-[2-(trimethylsilylamino)-6-trimethylsilyloxypurin-9-yl]-4-trimethylsilyloxy-5-(trimethylsilyloxymethyl)oxolan-3-yl] phosphate is sourced from PubChem (CID 6428467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).