(2R,5R)-2-(6-aminopurin-9-yl)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methyloxolane-3,4-diol

C27H33N5O4Si — CID 70810152

IUPAC(2R,5R)-2-(6-aminopurin-9-yl)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methyloxolane-3,4-diol
SMILESCC1(O)C(O)[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O[C@H]1n1cnc2c(N)ncnc21
InChIInChI=1S/C27H33N5O4Si/c1-26(2,3)37(18-11-7-5-8-12-18,19-13-9-6-10-14-19)35-15-20-22(33)27(4,34)25(36-20)32-17-31-21-23(28)29-16-30-24(21)32/h5-14,16-17,20,22,25,33-34H,15H2,1-4H3,(H2,28,29,30)/t20-,22?,25-,27?/m1/s1
InChIKeyDUBHZSSHFXEANC-RXJOJHSJSA-N
MW519.68 g/mol
LogP1.99
Rot. Bonds6

About (2R,5R)-2-(6-aminopurin-9-yl)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methyloxolane-3,4-diol

(2R,5R)-2-(6-aminopurin-9-yl)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methyloxolane-3,4-diol (PubChem CID 70810152) has the molecular formula C27H33N5O4Si and a molecular weight of 519.68 g/mol. Its IUPAC name is (2R,5R)-2-(6-aminopurin-9-yl)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methyloxolane-3,4-diol.

Molecular Properties

Compound Name(2R,5R)-2-(6-aminopurin-9-yl)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methyloxolane-3,4-diol
PubChem CID70810152
Molecular FormulaC27H33N5O4Si
Molecular Weight519.68 g/mol
Exact Mass519.23
IUPAC Name(2R,5R)-2-(6-aminopurin-9-yl)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methyloxolane-3,4-diol
SMILESCC1(O)C(O)[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O[C@H]1n1cnc2c(N)ncnc21
InChIInChI=1S/C27H33N5O4Si/c1-26(2,3)37(18-11-7-5-8-12-18,19-13-9-6-10-14-19)35-15-20-22(33)27(4,34)25(36-20)32-17-31-21-23(28)29-16-30-24(21)32/h5-14,16-17,20,22,25,33-34H,15H2,1-4H3,(H2,28,29,30)/t20-,22?,25-,27?/m1/s1
InChIKeyDUBHZSSHFXEANC-RXJOJHSJSA-N
XLogP1.99
TPSA128.54 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.68
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolane-3,4-diol
CID 11081703
(2R,4S)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)-3-methyloxolane-3,4-diol
CID 59998679
(2R,3S,4R,5S)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)-3-methyloxolane-3,4-diol
CID 124554369
(2R,5R)-2-(6-aminopurin-9-yl)-3-methyl-5-(naphthalen-1-yloxyphosphanyloxymethyl)oxolane-3,4-diol
CID 71101930
[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid
CID 155657046
9-[(1R,2R,3S)-2,3-bis[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopentyl]purin-6-amine
CID 18657707
(2R,3R,4R,5R)-2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxolane-3,4-diol
CID 59645177
(2R,3R,4R,5S)-2-(6-aminopurin-9-yl)-5-(1-hydroxy-2-methoxyethenyl)-3-methyloxolane-3,4-diol
CID 154073541
S-[2-[[(2R,4S,5S)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy-(benzylamino)phosphoryl]oxyethyl] 3-hydroxy-2,2-dimethylpropanethioate
CID 173466591
[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;N,N-diethylethanamine
CID 172642510
(2R,3S,4R,5R)-2-(6-aminopurin-9-yl)-3-[tert-butyl(dimethyl)silyl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 152762007
(2R,3R,4S,5R)-5-(6-aminopurin-9-yl)-4-[methyl(diphenyl)silyl]oxy-2-[[methyl(diphenyl)silyl]oxymethyl]oxolan-3-ol
CID 24866592

Frequently Asked Questions

What is the IUPAC name of (2R,5R)-2-(6-aminopurin-9-yl)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methyloxolane-3,4-diol?
The IUPAC name of (2R,5R)-2-(6-aminopurin-9-yl)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methyloxolane-3,4-diol (CID 70810152) is (2R,5R)-2-(6-aminopurin-9-yl)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methyloxolane-3,4-diol.
What is the SMILES notation for (2R,5R)-2-(6-aminopurin-9-yl)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methyloxolane-3,4-diol?
The canonical SMILES for (2R,5R)-2-(6-aminopurin-9-yl)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methyloxolane-3,4-diol is CC1(O)C(O)[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O[C@H]1n1cnc2c(N)ncnc21.
What is the InChIKey of (2R,5R)-2-(6-aminopurin-9-yl)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methyloxolane-3,4-diol?
The InChIKey is DUBHZSSHFXEANC-RXJOJHSJSA-N. The full InChI is InChI=1S/C27H33N5O4Si/c1-26(2,3)37(18-11-7-5-8-12-18,19-13-9-6-10-14-19)35-15-20-22(33)27(4,34)25(36-20)32-17-31-21-23(28)29-16-30-24(21)32/h5-14,16-17,20,22,25,33-34H,15H2,1-4H3,(H2,28,29,30)/t20-,22?,25-,27?/m1/s1.
What are the key properties of (2R,5R)-2-(6-aminopurin-9-yl)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methyloxolane-3,4-diol?
(2R,5R)-2-(6-aminopurin-9-yl)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methyloxolane-3,4-diol has a molecular weight of 519.68 g/mol, XLogP of 1.99, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-2-(6-aminopurin-9-yl)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methyloxolane-3,4-diol is sourced from PubChem (CID 70810152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).