[(4R,6R)-4-[6-(cyclohexylcarbamoylamino)purin-9-yl]spiro[3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-2,1'-cyclohexane]-6-yl]methyl N-ethylcarbamate

C26H37N7O6 — CID 70882198

About [(4R,6R)-4-[6-(cyclohexylcarbamoylamino)purin-9-yl]spiro[3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-2,1'-cyclohexane]-6-yl]methyl N-ethylcarbamate

[(4R,6R)-4-[6-(cyclohexylcarbamoylamino)purin-9-yl]spiro[3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-2,1'-cyclohexane]-6-yl]methyl N-ethylcarbamate (PubChem CID 70882198) has the molecular formula C26H37N7O6 and a molecular weight of 543.63 g/mol. Its IUPAC name is [(4R,6R)-4-[6-(cyclohexylcarbamoylamino)purin-9-yl]spiro[3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-2,1'-cyclohexane]-6-yl]methyl N-ethylcarbamate.

Molecular Properties

• Compound Name: [(4R,6R)-4-[6-(cyclohexylcarbamoylamino)purin-9-yl]spiro[3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-2,1'-cyclohexane]-6-yl]methyl N-ethylcarbamate
• PubChem CID: 70882198
• Molecular Formula: C26H37N7O6
• Molecular Weight: 543.63 g/mol
• Exact Mass: 543.28
• IUPAC Name: [(4R,6R)-4-[6-(cyclohexylcarbamoylamino)purin-9-yl]spiro[3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-2,1'-cyclohexane]-6-yl]methyl N-ethylcarbamate
• SMILES: CCNC(=O)OC[C@H]1O[C@@H](n2cnc3c(NC(=O)NC4CCCCC4)ncnc32)C2OC3(CCCCC3)OC21
• InChI: InChI=1S/C26H37N7O6/c1-2-27-25(35)36-13-17-19-20(39-26(38-19)11-7-4-8-12-26)23(37-17)33-15-30-18-21(28-14-29-22(18)33)32-24(34)31-16-9-5-3-6-10-16/h14-17,19-20,23H,2-13H2,1H3,(H,27,35)(H2,28,29,31,32,34)/t17-,19?,20?,23-/m1/s1
• InChIKey: FDBDADZTYCMISM-AGTGTDPFSA-N
• XLogP: 3.37
• TPSA: 150.75 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	543.63
LogP ≤ 5	3.37
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of [(4R,6R)-4-[6-(cyclohexylcarbamoylamino)purin-9-yl]spiro[3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-2,1'-cyclohexane]-6-yl]methyl N-ethylcarbamate?

The IUPAC name of [(4R,6R)-4-[6-(cyclohexylcarbamoylamino)purin-9-yl]spiro[3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-2,1'-cyclohexane]-6-yl]methyl N-ethylcarbamate (CID 70882198) is [(4R,6R)-4-[6-(cyclohexylcarbamoylamino)purin-9-yl]spiro[3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-2,1'-cyclohexane]-6-yl]methyl N-ethylcarbamate.

What is the SMILES notation for [(4R,6R)-4-[6-(cyclohexylcarbamoylamino)purin-9-yl]spiro[3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-2,1'-cyclohexane]-6-yl]methyl N-ethylcarbamate?

The canonical SMILES for [(4R,6R)-4-[6-(cyclohexylcarbamoylamino)purin-9-yl]spiro[3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-2,1'-cyclohexane]-6-yl]methyl N-ethylcarbamate is CCNC(=O)OC[C@H]1O[C@@H](n2cnc3c(NC(=O)NC4CCCCC4)ncnc32)C2OC3(CCCCC3)OC21.

What is the InChIKey of [(4R,6R)-4-[6-(cyclohexylcarbamoylamino)purin-9-yl]spiro[3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-2,1'-cyclohexane]-6-yl]methyl N-ethylcarbamate?

The InChIKey is FDBDADZTYCMISM-AGTGTDPFSA-N. The full InChI is InChI=1S/C26H37N7O6/c1-2-27-25(35)36-13-17-19-20(39-26(38-19)11-7-4-8-12-26)23(37-17)33-15-30-18-21(28-14-29-22(18)33)32-24(34)31-16-9-5-3-6-10-16/h14-17,19-20,23H,2-13H2,1H3,(H,27,35)(H2,28,29,31,32,34)/t17-,19?,20?,23-/m1/s1.

What are the key properties of [(4R,6R)-4-[6-(cyclohexylcarbamoylamino)purin-9-yl]spiro[3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-2,1'-cyclohexane]-6-yl]methyl N-ethylcarbamate?

[(4R,6R)-4-[6-(cyclohexylcarbamoylamino)purin-9-yl]spiro[3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-2,1'-cyclohexane]-6-yl]methyl N-ethylcarbamate has a molecular weight of 543.63 g/mol, XLogP of 3.37, 6 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for [(4R,6R)-4-[6-(cyclohexylcarbamoylamino)purin-9-yl]spiro[3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-2,1'-cyclohexane]-6-yl]methyl N-ethylcarbamate is sourced from PubChem (CID 70882198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).