9-[(2S,3S,4S,5S)-3,4-bis(trimethylsilyloxy)-5-(trimethylsilyloxymethyl)oxolan-2-yl]-N-trimethylsilyl-6-trimethylsilyloxypurin-2-amine

C25H53N5O5Si5 — CID 91746614

IUPAC9-[(2S,3S,4S,5S)-3,4-bis(trimethylsilyloxy)-5-(trimethylsilyloxymethyl)oxolan-2-yl]-N-trimethylsilyl-6-trimethylsilyloxypurin-2-amine
SMILESC[Si](C)(C)Nc1nc(O[Si](C)(C)C)c2ncn([C@H]3O[C@@H](CO[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]3O[Si](C)(C)C)c2n1
InChIInChI=1S/C25H53N5O5Si5/c1-36(2,3)29-25-27-22-19(23(28-25)35-40(13,14)15)26-17-30(22)24-21(34-39(10,11)12)20(33-38(7,8)9)18(32-24)16-31-37(4,5)6/h17-18,20-21,24H,16H2,1-15H3,(H,27,28,29)/t18-,20-,21-,24-/m0/s1
InChIKeyWBZAZQAAZNLPHS-FVLCUVFVSA-N
MW644.16 g/mol
LogP6.48
Rot. Bonds12

About 9-[(2S,3S,4S,5S)-3,4-bis(trimethylsilyloxy)-5-(trimethylsilyloxymethyl)oxolan-2-yl]-N-trimethylsilyl-6-trimethylsilyloxypurin-2-amine

9-[(2S,3S,4S,5S)-3,4-bis(trimethylsilyloxy)-5-(trimethylsilyloxymethyl)oxolan-2-yl]-N-trimethylsilyl-6-trimethylsilyloxypurin-2-amine (PubChem CID 91746614) has the molecular formula C25H53N5O5Si5 and a molecular weight of 644.16 g/mol. Its IUPAC name is 9-[(2S,3S,4S,5S)-3,4-bis(trimethylsilyloxy)-5-(trimethylsilyloxymethyl)oxolan-2-yl]-N-trimethylsilyl-6-trimethylsilyloxypurin-2-amine.

Molecular Properties

Compound Name9-[(2S,3S,4S,5S)-3,4-bis(trimethylsilyloxy)-5-(trimethylsilyloxymethyl)oxolan-2-yl]-N-trimethylsilyl-6-trimethylsilyloxypurin-2-amine
PubChem CID91746614
Molecular FormulaC25H53N5O5Si5
Molecular Weight644.16 g/mol
Exact Mass643.29
IUPAC Name9-[(2S,3S,4S,5S)-3,4-bis(trimethylsilyloxy)-5-(trimethylsilyloxymethyl)oxolan-2-yl]-N-trimethylsilyl-6-trimethylsilyloxypurin-2-amine
SMILESC[Si](C)(C)Nc1nc(O[Si](C)(C)C)c2ncn([C@H]3O[C@@H](CO[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]3O[Si](C)(C)C)c2n1
InChIInChI=1S/C25H53N5O5Si5/c1-36(2,3)29-25-27-22-19(23(28-25)35-40(13,14)15)26-17-30(22)24-21(34-39(10,11)12)20(33-38(7,8)9)18(32-24)16-31-37(4,5)6/h17-18,20-21,24H,16H2,1-15H3,(H,27,28,29)/t18-,20-,21-,24-/m0/s1
InChIKeyWBZAZQAAZNLPHS-FVLCUVFVSA-N
XLogP6.48
TPSA101.78 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500644.16
LogP ≤ 56.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 9-[(2S,3S,4S,5S)-3,4-bis(trimethylsilyloxy)-5-(trimethylsilyloxymethyl)oxolan-2-yl]-N-trimethylsilyl-6-trimethylsilyloxypurin-2-amine with MolForge

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Related Compounds

bis(trimethylsilyl) [2-[2-(trimethylsilylamino)-6-trimethylsilyloxypurin-9-yl]-4-trimethylsilyloxy-5-(trimethylsilyloxymethyl)oxolan-3-yl] phosphate
CID 6428467
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-[(3R,4S,5S)-4-bis(trimethylsilyloxy)phosphoryl-3-trimethylsilyloxy-5-(trimethylsilyloxymethyl)oxolan-2-yl]-N-trimethylsilylpurin-6-amine
CID 91750512
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
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
9-[(2S,5S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-N-[tert-butyl(dimethyl)silyl]purin-6-amine
CID 6429455
N-trimethylsilyl-9-[(4R,5S)-4-trimethylsilyloxy-5-(trimethylsilyloxymethyl)oxolan-2-yl]purin-6-amine
CID 6431571
[(2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[6-methoxy-2-(3-phenylphenyl)purin-9-yl]oxolan-2-yl]methoxy-tert-butyl-dimethylsilane
CID 139257485
trimethyl-[(2R,3R,4R,5R)-4-trimethylsilyloxy-2,5-bis(trimethylsilyloxymethyl)oxolan-3-yl]oxysilane
CID 91750468
5-[3,4-bis(trimethylsilyloxy)-5-(trimethylsilyloxymethyl)oxolan-2-yl]-4-trimethylsilyloxypyrimidin-2-amine
CID 23401501

Frequently Asked Questions

What is the IUPAC name of 9-[(2S,3S,4S,5S)-3,4-bis(trimethylsilyloxy)-5-(trimethylsilyloxymethyl)oxolan-2-yl]-N-trimethylsilyl-6-trimethylsilyloxypurin-2-amine?
The IUPAC name of 9-[(2S,3S,4S,5S)-3,4-bis(trimethylsilyloxy)-5-(trimethylsilyloxymethyl)oxolan-2-yl]-N-trimethylsilyl-6-trimethylsilyloxypurin-2-amine (CID 91746614) is 9-[(2S,3S,4S,5S)-3,4-bis(trimethylsilyloxy)-5-(trimethylsilyloxymethyl)oxolan-2-yl]-N-trimethylsilyl-6-trimethylsilyloxypurin-2-amine.
What is the SMILES notation for 9-[(2S,3S,4S,5S)-3,4-bis(trimethylsilyloxy)-5-(trimethylsilyloxymethyl)oxolan-2-yl]-N-trimethylsilyl-6-trimethylsilyloxypurin-2-amine?
The canonical SMILES for 9-[(2S,3S,4S,5S)-3,4-bis(trimethylsilyloxy)-5-(trimethylsilyloxymethyl)oxolan-2-yl]-N-trimethylsilyl-6-trimethylsilyloxypurin-2-amine is C[Si](C)(C)Nc1nc(O[Si](C)(C)C)c2ncn([C@H]3O[C@@H](CO[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]3O[Si](C)(C)C)c2n1.
What is the InChIKey of 9-[(2S,3S,4S,5S)-3,4-bis(trimethylsilyloxy)-5-(trimethylsilyloxymethyl)oxolan-2-yl]-N-trimethylsilyl-6-trimethylsilyloxypurin-2-amine?
The InChIKey is WBZAZQAAZNLPHS-FVLCUVFVSA-N. The full InChI is InChI=1S/C25H53N5O5Si5/c1-36(2,3)29-25-27-22-19(23(28-25)35-40(13,14)15)26-17-30(22)24-21(34-39(10,11)12)20(33-38(7,8)9)18(32-24)16-31-37(4,5)6/h17-18,20-21,24H,16H2,1-15H3,(H,27,28,29)/t18-,20-,21-,24-/m0/s1.
What are the key properties of 9-[(2S,3S,4S,5S)-3,4-bis(trimethylsilyloxy)-5-(trimethylsilyloxymethyl)oxolan-2-yl]-N-trimethylsilyl-6-trimethylsilyloxypurin-2-amine?
9-[(2S,3S,4S,5S)-3,4-bis(trimethylsilyloxy)-5-(trimethylsilyloxymethyl)oxolan-2-yl]-N-trimethylsilyl-6-trimethylsilyloxypurin-2-amine has a molecular weight of 644.16 g/mol, XLogP of 6.48, 12 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(2S,3S,4S,5S)-3,4-bis(trimethylsilyloxy)-5-(trimethylsilyloxymethyl)oxolan-2-yl]-N-trimethylsilyl-6-trimethylsilyloxypurin-2-amine is sourced from PubChem (CID 91746614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).