cyclobutyl 4-[3-[6-amino-9-[(2R,3S,5S)-5-(cyclopropylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]purin-2-yl]propyl]piperidine-1-carboxylate;ethane

C28H43N7O6 — CID 91352228

About cyclobutyl 4-[3-[6-amino-9-[(2R,3S,5S)-5-(cyclopropylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]purin-2-yl]propyl]piperidine-1-carboxylate;ethane

cyclobutyl 4-[3-[6-amino-9-[(2R,3S,5S)-5-(cyclopropylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]purin-2-yl]propyl]piperidine-1-carboxylate;ethane (PubChem CID 91352228) has the molecular formula C28H43N7O6 and a molecular weight of 573.70 g/mol. Its IUPAC name is cyclobutyl 4-[3-[6-amino-9-[(2R,3S,5S)-5-(cyclopropylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]purin-2-yl]propyl]piperidine-1-carboxylate;ethane.

Molecular Properties

• Compound Name: cyclobutyl 4-[3-[6-amino-9-[(2R,3S,5S)-5-(cyclopropylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]purin-2-yl]propyl]piperidine-1-carboxylate;ethane
• PubChem CID: 91352228
• Molecular Formula: C28H43N7O6
• Molecular Weight: 573.70 g/mol
• Exact Mass: 573.33
• IUPAC Name: cyclobutyl 4-[3-[6-amino-9-[(2R,3S,5S)-5-(cyclopropylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]purin-2-yl]propyl]piperidine-1-carboxylate;ethane
• SMILES: CC.Nc1nc(CCCC2CCN(C(=O)OC3CCC3)CC2)nc2c1ncn2[C@@H]1O[C@H](C(=O)NC2CC2)C(O)[C@@H]1O
• InChI: InChI=1S/C26H37N7O6.C2H6/c27-22-18-23(33(13-28-18)25-20(35)19(34)21(39-25)24(36)29-15-7-8-15)31-17(30-22)6-1-3-14-9-11-32(12-10-14)26(37)38-16-4-2-5-16;1-2/h13-16,19-21,25,34-35H,1-12H2,(H,29,36)(H2,27,30,31);1-2H3/t19?,20-,21-,25+;/m0./s1
• InChIKey: MGGPAXNANLSXIQ-IHOSBEKDSA-N
• XLogP: 2.06
• TPSA: 177.95 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	573.70
LogP ≤ 5	2.06
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of cyclobutyl 4-[3-[6-amino-9-[(2R,3S,5S)-5-(cyclopropylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]purin-2-yl]propyl]piperidine-1-carboxylate;ethane?

The IUPAC name of cyclobutyl 4-[3-[6-amino-9-[(2R,3S,5S)-5-(cyclopropylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]purin-2-yl]propyl]piperidine-1-carboxylate;ethane (CID 91352228) is cyclobutyl 4-[3-[6-amino-9-[(2R,3S,5S)-5-(cyclopropylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]purin-2-yl]propyl]piperidine-1-carboxylate;ethane.

What is the SMILES notation for cyclobutyl 4-[3-[6-amino-9-[(2R,3S,5S)-5-(cyclopropylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]purin-2-yl]propyl]piperidine-1-carboxylate;ethane?

The canonical SMILES for cyclobutyl 4-[3-[6-amino-9-[(2R,3S,5S)-5-(cyclopropylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]purin-2-yl]propyl]piperidine-1-carboxylate;ethane is CC.Nc1nc(CCCC2CCN(C(=O)OC3CCC3)CC2)nc2c1ncn2[C@@H]1O[C@H](C(=O)NC2CC2)C(O)[C@@H]1O.

What is the InChIKey of cyclobutyl 4-[3-[6-amino-9-[(2R,3S,5S)-5-(cyclopropylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]purin-2-yl]propyl]piperidine-1-carboxylate;ethane?

The InChIKey is MGGPAXNANLSXIQ-IHOSBEKDSA-N. The full InChI is InChI=1S/C26H37N7O6.C2H6/c27-22-18-23(33(13-28-18)25-20(35)19(34)21(39-25)24(36)29-15-7-8-15)31-17(30-22)6-1-3-14-9-11-32(12-10-14)26(37)38-16-4-2-5-16;1-2/h13-16,19-21,25,34-35H,1-12H2,(H,29,36)(H2,27,30,31);1-2H3/t19?,20-,21-,25+;/m0./s1.

What are the key properties of cyclobutyl 4-[3-[6-amino-9-[(2R,3S,5S)-5-(cyclopropylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]purin-2-yl]propyl]piperidine-1-carboxylate;ethane?

cyclobutyl 4-[3-[6-amino-9-[(2R,3S,5S)-5-(cyclopropylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]purin-2-yl]propyl]piperidine-1-carboxylate;ethane has a molecular weight of 573.70 g/mol, XLogP of 2.06, 8 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for cyclobutyl 4-[3-[6-amino-9-[(2R,3S,5S)-5-(cyclopropylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]purin-2-yl]propyl]piperidine-1-carboxylate;ethane is sourced from PubChem (CID 91352228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).