N-[9-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methyloxolan-2-yl]-6-oxo-1H-purin-2-yl]acetamide

About N-[9-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methyloxolan-2-yl]-6-oxo-1H-purin-2-yl]acetamide

N-[9-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methyloxolan-2-yl]-6-oxo-1H-purin-2-yl]acetamide (PubChem CID 136814632) has the molecular formula C25H45N5O5Si2 and a molecular weight of 551.84 g/mol. Its IUPAC name is N-[9-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methyloxolan-2-yl]-6-oxo-1H-purin-2-yl]acetamide.

Molecular Properties

Compound Name	N-[9-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methyloxolan-2-yl]-6-oxo-1H-purin-2-yl]acetamide
PubChem CID	136814632
Molecular Formula	C25H45N5O5Si2
Molecular Weight	551.84 g/mol
Exact Mass	551.30
IUPAC Name	N-[9-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methyloxolan-2-yl]-6-oxo-1H-purin-2-yl]acetamide
SMILES	CC(=O)Nc1nc2c(ncn2[C@H]2C[C@H](O[Si](C)(C)C(C)(C)C)[C@@](C)(CO[Si](C)(C)C(C)(C)C)O2)c(=O)[nH]1
InChI	InChI=1S/C25H45N5O5Si2/c1-16(31)27-22-28-20-19(21(32)29-22)26-15-30(20)18-13-17(35-37(11,12)24(5,6)7)25(8,34-18)14-33-36(9,10)23(2,3)4/h15,17-18H,13-14H2,1-12H3,(H2,27,28,29,31,32)/t17-,18+,25+/m0/s1
InChIKey	XOPZUQGENLNPOX-YYULODDRSA-N
XLogP	5.17
TPSA	120.36 Å²
H-Bond Donors	2
H-Bond Acceptors	8
Rotatable Bonds	7
Heavy Atoms	37
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	551.84
LogP ≤ 5	5.17
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-[9-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methyloxolan-2-yl]-6-oxo-1H-purin-2-yl]acetamide?

The IUPAC name of N-[9-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methyloxolan-2-yl]-6-oxo-1H-purin-2-yl]acetamide (CID 136814632) is N-[9-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methyloxolan-2-yl]-6-oxo-1H-purin-2-yl]acetamide.

What is the SMILES notation for N-[9-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methyloxolan-2-yl]-6-oxo-1H-purin-2-yl]acetamide?

The canonical SMILES for N-[9-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methyloxolan-2-yl]-6-oxo-1H-purin-2-yl]acetamide is CC(=O)Nc1nc2c(ncn2[C@H]2C[C@H](O[Si](C)(C)C(C)(C)C)[C@@](C)(CO[Si](C)(C)C(C)(C)C)O2)c(=O)[nH]1.

What is the InChIKey of N-[9-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methyloxolan-2-yl]-6-oxo-1H-purin-2-yl]acetamide?

The InChIKey is XOPZUQGENLNPOX-YYULODDRSA-N. The full InChI is InChI=1S/C25H45N5O5Si2/c1-16(31)27-22-28-20-19(21(32)29-22)26-15-30(20)18-13-17(35-37(11,12)24(5,6)7)25(8,34-18)14-33-36(9,10)23(2,3)4/h15,17-18H,13-14H2,1-12H3,(H2,27,28,29,31,32)/t17-,18+,25+/m0/s1.

What are the key properties of N-[9-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methyloxolan-2-yl]-6-oxo-1H-purin-2-yl]acetamide?

N-[9-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methyloxolan-2-yl]-6-oxo-1H-purin-2-yl]acetamide has a molecular weight of 551.84 g/mol, XLogP of 5.17, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[9-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methyloxolan-2-yl]-6-oxo-1H-purin-2-yl]acetamide is sourced from PubChem (CID 136814632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).