9-[(2R,3R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methyloxolan-2-yl]-2-fluoropurin-6-amine

C27H32FN5O2Si — CID 10839282

IUPAC9-[(2R,3R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methyloxolan-2-yl]-2-fluoropurin-6-amine
SMILESC[C@@H]1C[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O[C@H]1n1cnc2c(N)nc(F)nc21
InChIInChI=1S/C27H32FN5O2Si/c1-18-15-19(35-25(18)33-17-30-22-23(29)31-26(28)32-24(22)33)16-34-36(27(2,3)4,20-11-7-5-8-12-20)21-13-9-6-10-14-21/h5-14,17-19,25H,15-16H2,1-4H3,(H2,29,31,32)/t18-,19+,25-/m1/s1
InChIKeyINXHWLMJDJJCBQ-HHJKRLRDSA-N
MW505.67 g/mol
LogP4.05
Rot. Bonds6

About 9-[(2R,3R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methyloxolan-2-yl]-2-fluoropurin-6-amine

9-[(2R,3R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methyloxolan-2-yl]-2-fluoropurin-6-amine (PubChem CID 10839282) has the molecular formula C27H32FN5O2Si and a molecular weight of 505.67 g/mol. Its IUPAC name is 9-[(2R,3R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methyloxolan-2-yl]-2-fluoropurin-6-amine.

Molecular Properties

Compound Name9-[(2R,3R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methyloxolan-2-yl]-2-fluoropurin-6-amine
PubChem CID10839282
Molecular FormulaC27H32FN5O2Si
Molecular Weight505.67 g/mol
Exact Mass505.23
IUPAC Name9-[(2R,3R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methyloxolan-2-yl]-2-fluoropurin-6-amine
SMILESC[C@@H]1C[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O[C@H]1n1cnc2c(N)nc(F)nc21
InChIInChI=1S/C27H32FN5O2Si/c1-18-15-19(35-25(18)33-17-30-22-23(29)31-26(28)32-24(22)33)16-34-36(27(2,3)4,20-11-7-5-8-12-20)21-13-9-6-10-14-21/h5-14,17-19,25H,15-16H2,1-4H3,(H2,29,31,32)/t18-,19+,25-/m1/s1
InChIKeyINXHWLMJDJJCBQ-HHJKRLRDSA-N
XLogP4.05
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.67
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-[(2R,3S,5R)-5-(6-amino-2-fluoropurin-9-yl)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-ethynyloxolan-3-yl]ethyl hydrogen carbonate
CID 163406088
tert-butyl-[[4-(6-chloro-2-fluoropurin-9-yl)-1,3-dioxolan-2-yl]methoxy]-diphenylsilane
CID 54310455
(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolane-3,4-diol
CID 11081703
2-[[(2R,3S,5R)-5-(6-amino-2-fluoropurin-9-yl)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-ethynyloxolan-3-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid
CID 175777790
[(2R,3S,5R)-5-(6-amino-2-fluoropurin-9-yl)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-ethynyloxolan-3-yl] nonadecyl carbonate
CID 151490099
9-[(2R,3S,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-2-fluoropurin-6-amine
CID 10962708
[(2R,3S,5R)-5-(6-amino-2-fluoropurin-9-yl)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-ethynyloxolan-3-yl] 2-(heptanoylamino)acetate
CID 155779400
[(2R,5R)-5-(2-amino-6-chloropurin-9-yl)-4-methyloxolan-2-yl]methyl benzoate
CID 173469042
9-[(2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]oxolan-2-yl]-2-fluoropurin-6-amine
CID 174058210
(3S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-fluorooxolan-2-ol
CID 101223113
(2R,3S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-fluorooxolan-2-ol
CID 90339346
9-[(3aR,4R,6R,6aR)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dioxo-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3,2]dioxathiol-4-yl]-6-methoxypurin-2-amine
CID 10722244

Frequently Asked Questions

What is the IUPAC name of 9-[(2R,3R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methyloxolan-2-yl]-2-fluoropurin-6-amine?
The IUPAC name of 9-[(2R,3R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methyloxolan-2-yl]-2-fluoropurin-6-amine (CID 10839282) is 9-[(2R,3R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methyloxolan-2-yl]-2-fluoropurin-6-amine.
What is the SMILES notation for 9-[(2R,3R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methyloxolan-2-yl]-2-fluoropurin-6-amine?
The canonical SMILES for 9-[(2R,3R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methyloxolan-2-yl]-2-fluoropurin-6-amine is C[C@@H]1C[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O[C@H]1n1cnc2c(N)nc(F)nc21.
What is the InChIKey of 9-[(2R,3R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methyloxolan-2-yl]-2-fluoropurin-6-amine?
The InChIKey is INXHWLMJDJJCBQ-HHJKRLRDSA-N. The full InChI is InChI=1S/C27H32FN5O2Si/c1-18-15-19(35-25(18)33-17-30-22-23(29)31-26(28)32-24(22)33)16-34-36(27(2,3)4,20-11-7-5-8-12-20)21-13-9-6-10-14-21/h5-14,17-19,25H,15-16H2,1-4H3,(H2,29,31,32)/t18-,19+,25-/m1/s1.
What are the key properties of 9-[(2R,3R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methyloxolan-2-yl]-2-fluoropurin-6-amine?
9-[(2R,3R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methyloxolan-2-yl]-2-fluoropurin-6-amine has a molecular weight of 505.67 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(2R,3R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methyloxolan-2-yl]-2-fluoropurin-6-amine is sourced from PubChem (CID 10839282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).