1-[(2R,3R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxyoxolan-2-yl]-3-(2-hydroxyethyl)-5-methylpyrimidine-2,4-dione

C24H46N2O7Si2 — CID 15958318

IUPAC1-[(2R,3R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxyoxolan-2-yl]-3-(2-hydroxyethyl)-5-methylpyrimidine-2,4-dione
SMILESCc1cn([C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)c(=O)n(CCO)c1=O
InChIInChI=1S/C24H46N2O7Si2/c1-16-14-26(22(30)25(12-13-27)20(16)29)21-18(28)19(33-35(10,11)24(5,6)7)17(32-21)15-31-34(8,9)23(2,3)4/h14,17-19,21,27-28H,12-13,15H2,1-11H3/t17-,18-,19-,21-/m1/s1
InChIKeyJLLPNCXGZSKAJB-ANTGDGSKSA-N
MW530.81 g/mol
LogP2.98
Rot. Bonds8

About 1-[(2R,3R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxyoxolan-2-yl]-3-(2-hydroxyethyl)-5-methylpyrimidine-2,4-dione

1-[(2R,3R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxyoxolan-2-yl]-3-(2-hydroxyethyl)-5-methylpyrimidine-2,4-dione (PubChem CID 15958318) has the molecular formula C24H46N2O7Si2 and a molecular weight of 530.81 g/mol. Its IUPAC name is 1-[(2R,3R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxyoxolan-2-yl]-3-(2-hydroxyethyl)-5-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(2R,3R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxyoxolan-2-yl]-3-(2-hydroxyethyl)-5-methylpyrimidine-2,4-dione
PubChem CID15958318
Molecular FormulaC24H46N2O7Si2
Molecular Weight530.81 g/mol
Exact Mass530.28
IUPAC Name1-[(2R,3R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxyoxolan-2-yl]-3-(2-hydroxyethyl)-5-methylpyrimidine-2,4-dione
SMILESCc1cn([C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)c(=O)n(CCO)c1=O
InChIInChI=1S/C24H46N2O7Si2/c1-16-14-26(22(30)25(12-13-27)20(16)29)21-18(28)19(33-35(10,11)24(5,6)7)17(32-21)15-31-34(8,9)23(2,3)4/h14,17-19,21,27-28H,12-13,15H2,1-11H3/t17-,18-,19-,21-/m1/s1
InChIKeyJLLPNCXGZSKAJB-ANTGDGSKSA-N
XLogP2.98
TPSA112.15 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500530.81
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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 1-[(2R,3R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxyoxolan-2-yl]-3-(2-hydroxyethyl)-5-methylpyrimidine-2,4-dione?
The IUPAC name of 1-[(2R,3R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxyoxolan-2-yl]-3-(2-hydroxyethyl)-5-methylpyrimidine-2,4-dione (CID 15958318) is 1-[(2R,3R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxyoxolan-2-yl]-3-(2-hydroxyethyl)-5-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-[(2R,3R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxyoxolan-2-yl]-3-(2-hydroxyethyl)-5-methylpyrimidine-2,4-dione?
The canonical SMILES for 1-[(2R,3R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxyoxolan-2-yl]-3-(2-hydroxyethyl)-5-methylpyrimidine-2,4-dione is Cc1cn([C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)c(=O)n(CCO)c1=O.
What is the InChIKey of 1-[(2R,3R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxyoxolan-2-yl]-3-(2-hydroxyethyl)-5-methylpyrimidine-2,4-dione?
The InChIKey is JLLPNCXGZSKAJB-ANTGDGSKSA-N. The full InChI is InChI=1S/C24H46N2O7Si2/c1-16-14-26(22(30)25(12-13-27)20(16)29)21-18(28)19(33-35(10,11)24(5,6)7)17(32-21)15-31-34(8,9)23(2,3)4/h14,17-19,21,27-28H,12-13,15H2,1-11H3/t17-,18-,19-,21-/m1/s1.
What are the key properties of 1-[(2R,3R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxyoxolan-2-yl]-3-(2-hydroxyethyl)-5-methylpyrimidine-2,4-dione?
1-[(2R,3R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxyoxolan-2-yl]-3-(2-hydroxyethyl)-5-methylpyrimidine-2,4-dione has a molecular weight of 530.81 g/mol, XLogP of 2.98, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,3R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxyoxolan-2-yl]-3-(2-hydroxyethyl)-5-methylpyrimidine-2,4-dione is sourced from PubChem (CID 15958318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).