(2R,3S,4R,5S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(2,4-dimethoxypyrimidin-5-yl)oxolane-3,4-diol

C27H34N2O6Si — CID 11081790

IUPAC(2R,3S,4R,5S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(2,4-dimethoxypyrimidin-5-yl)oxolane-3,4-diol
SMILESCOc1ncc([C@@H]2O[C@H](CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)[C@@H](O)[C@H]2O)c(OC)n1
InChIInChI=1S/C27H34N2O6Si/c1-27(2,3)36(18-12-8-6-9-13-18,19-14-10-7-11-15-19)34-17-21-22(30)23(31)24(35-21)20-16-28-26(33-5)29-25(20)32-4/h6-16,21-24,30-31H,17H2,1-5H3/t21-,22-,23-,24+/m1/s1
InChIKeyQRWIHHLPHPAMGG-YCAMKHIRSA-N
MW510.66 g/mol
LogP2.23
Rot. Bonds8

About (2R,3S,4R,5S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(2,4-dimethoxypyrimidin-5-yl)oxolane-3,4-diol

(2R,3S,4R,5S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(2,4-dimethoxypyrimidin-5-yl)oxolane-3,4-diol (PubChem CID 11081790) has the molecular formula C27H34N2O6Si and a molecular weight of 510.66 g/mol. Its IUPAC name is (2R,3S,4R,5S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(2,4-dimethoxypyrimidin-5-yl)oxolane-3,4-diol.

Molecular Properties

Compound Name(2R,3S,4R,5S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(2,4-dimethoxypyrimidin-5-yl)oxolane-3,4-diol
PubChem CID11081790
Molecular FormulaC27H34N2O6Si
Molecular Weight510.66 g/mol
Exact Mass510.22
IUPAC Name(2R,3S,4R,5S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(2,4-dimethoxypyrimidin-5-yl)oxolane-3,4-diol
SMILESCOc1ncc([C@@H]2O[C@H](CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)[C@@H](O)[C@H]2O)c(OC)n1
InChIInChI=1S/C27H34N2O6Si/c1-27(2,3)36(18-12-8-6-9-13-18,19-14-10-7-11-15-19)34-17-21-22(30)23(31)24(35-21)20-16-28-26(33-5)29-25(20)32-4/h6-16,21-24,30-31H,17H2,1-5H3/t21-,22-,23-,24+/m1/s1
InChIKeyQRWIHHLPHPAMGG-YCAMKHIRSA-N
XLogP2.23
TPSA103.16 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.66
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,5S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(2,4-dimethoxypyrimidin-5-yl)oxolane-3,4-diol?
The IUPAC name of (2R,3S,4R,5S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(2,4-dimethoxypyrimidin-5-yl)oxolane-3,4-diol (CID 11081790) is (2R,3S,4R,5S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(2,4-dimethoxypyrimidin-5-yl)oxolane-3,4-diol.
What is the SMILES notation for (2R,3S,4R,5S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(2,4-dimethoxypyrimidin-5-yl)oxolane-3,4-diol?
The canonical SMILES for (2R,3S,4R,5S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(2,4-dimethoxypyrimidin-5-yl)oxolane-3,4-diol is COc1ncc([C@@H]2O[C@H](CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)[C@@H](O)[C@H]2O)c(OC)n1.
What is the InChIKey of (2R,3S,4R,5S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(2,4-dimethoxypyrimidin-5-yl)oxolane-3,4-diol?
The InChIKey is QRWIHHLPHPAMGG-YCAMKHIRSA-N. The full InChI is InChI=1S/C27H34N2O6Si/c1-27(2,3)36(18-12-8-6-9-13-18,19-14-10-7-11-15-19)34-17-21-22(30)23(31)24(35-21)20-16-28-26(33-5)29-25(20)32-4/h6-16,21-24,30-31H,17H2,1-5H3/t21-,22-,23-,24+/m1/s1.
What are the key properties of (2R,3S,4R,5S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(2,4-dimethoxypyrimidin-5-yl)oxolane-3,4-diol?
(2R,3S,4R,5S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(2,4-dimethoxypyrimidin-5-yl)oxolane-3,4-diol has a molecular weight of 510.66 g/mol, XLogP of 2.23, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R,5S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(2,4-dimethoxypyrimidin-5-yl)oxolane-3,4-diol is sourced from PubChem (CID 11081790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).