(2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-[[(2R)-2-phenylmethoxycyclopentyl]methyl]purin-9-yl]oxolane-3,4-diol;(2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-[[(2R)-2-[(4-propan-2-ylphenyl)methoxy]cyclopentyl]methyl]purin-9-yl]oxolane-3,4-diol

C49H62N8O10 — CID 165062095

About (2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-[[(2R)-2-phenylmethoxycyclopentyl]methyl]purin-9-yl]oxolane-3,4-diol;(2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-[[(2R)-2-[(4-propan-2-ylphenyl)methoxy]cyclopentyl]methyl]purin-9-yl]oxolane-3,4-diol

(2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-[[(2R)-2-phenylmethoxycyclopentyl]methyl]purin-9-yl]oxolane-3,4-diol;(2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-[[(2R)-2-[(4-propan-2-ylphenyl)methoxy]cyclopentyl]methyl]purin-9-yl]oxolane-3,4-diol (PubChem CID 165062095) has the molecular formula C49H62N8O10 and a molecular weight of 923.08 g/mol. Its IUPAC name is (2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-[[(2R)-2-phenylmethoxycyclopentyl]methyl]purin-9-yl]oxolane-3,4-diol;(2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-[[(2R)-2-[(4-propan-2-ylphenyl)methoxy]cyclopentyl]methyl]purin-9-yl]oxolane-3,4-diol.

Molecular Properties

• Compound Name: (2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-[[(2R)-2-phenylmethoxycyclopentyl]methyl]purin-9-yl]oxolane-3,4-diol;(2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-[[(2R)-2-[(4-propan-2-ylphenyl)methoxy]cyclopentyl]methyl]purin-9-yl]oxolane-3,4-diol
• PubChem CID: 165062095
• Molecular Formula: C49H62N8O10
• Molecular Weight: 923.08 g/mol
• Exact Mass: 922.46
• IUPAC Name: (2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-[[(2R)-2-phenylmethoxycyclopentyl]methyl]purin-9-yl]oxolane-3,4-diol;(2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-[[(2R)-2-[(4-propan-2-ylphenyl)methoxy]cyclopentyl]methyl]purin-9-yl]oxolane-3,4-diol
• SMILES: CC(C)c1ccc(CO[C@@H]2CCCC2Cc2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1.OC[C@H]1O[C@@H](n2cnc3c(CC4CCC[C@H]4OCc4ccccc4)ncnc32)[C@H](O)[C@@H]1O
• InChI: InChI=1S/C26H34N4O5.C23H28N4O5/c1-15(2)17-8-6-16(7-9-17)12-34-20-5-3-4-18(20)10-19-22-25(28-13-27-19)30(14-29-22)26-24(33)23(32)21(11-31)35-26;28-10-18-20(29)21(30)23(32-18)27-13-26-19-16(24-12-25-22(19)27)9-15-7-4-8-17(15)31-11-14-5-2-1-3-6-14/h6-9,13-15,18,20-21,23-24,26,31-33H,3-5,10-12H2,1-2H3;1-3,5-6,12-13,15,17-18,20-21,23,28-30H,4,7-11H2/t18?,20-,21-,23-,24-,26-;15?,17-,18-,20-,21-,23-/m11/s1
• InChIKey: RJICQRGACWQMKZ-XMYDEARFSA-N
• XLogP: 3.86
• TPSA: 245.50 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 18
• Rotatable Bonds: 15
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	923.08
LogP ≤ 5	3.86
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-[[(2R)-2-phenylmethoxycyclopentyl]methyl]purin-9-yl]oxolane-3,4-diol;(2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-[[(2R)-2-[(4-propan-2-ylphenyl)methoxy]cyclopentyl]methyl]purin-9-yl]oxolane-3,4-diol?

The IUPAC name of (2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-[[(2R)-2-phenylmethoxycyclopentyl]methyl]purin-9-yl]oxolane-3,4-diol;(2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-[[(2R)-2-[(4-propan-2-ylphenyl)methoxy]cyclopentyl]methyl]purin-9-yl]oxolane-3,4-diol (CID 165062095) is (2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-[[(2R)-2-phenylmethoxycyclopentyl]methyl]purin-9-yl]oxolane-3,4-diol;(2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-[[(2R)-2-[(4-propan-2-ylphenyl)methoxy]cyclopentyl]methyl]purin-9-yl]oxolane-3,4-diol.

What is the SMILES notation for (2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-[[(2R)-2-phenylmethoxycyclopentyl]methyl]purin-9-yl]oxolane-3,4-diol;(2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-[[(2R)-2-[(4-propan-2-ylphenyl)methoxy]cyclopentyl]methyl]purin-9-yl]oxolane-3,4-diol?

The canonical SMILES for (2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-[[(2R)-2-phenylmethoxycyclopentyl]methyl]purin-9-yl]oxolane-3,4-diol;(2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-[[(2R)-2-[(4-propan-2-ylphenyl)methoxy]cyclopentyl]methyl]purin-9-yl]oxolane-3,4-diol is CC(C)c1ccc(CO[C@@H]2CCCC2Cc2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1.OC[C@H]1O[C@@H](n2cnc3c(CC4CCC[C@H]4OCc4ccccc4)ncnc32)[C@H](O)[C@@H]1O.

What is the InChIKey of (2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-[[(2R)-2-phenylmethoxycyclopentyl]methyl]purin-9-yl]oxolane-3,4-diol;(2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-[[(2R)-2-[(4-propan-2-ylphenyl)methoxy]cyclopentyl]methyl]purin-9-yl]oxolane-3,4-diol?

The InChIKey is RJICQRGACWQMKZ-XMYDEARFSA-N. The full InChI is InChI=1S/C26H34N4O5.C23H28N4O5/c1-15(2)17-8-6-16(7-9-17)12-34-20-5-3-4-18(20)10-19-22-25(28-13-27-19)30(14-29-22)26-24(33)23(32)21(11-31)35-26;28-10-18-20(29)21(30)23(32-18)27-13-26-19-16(24-12-25-22(19)27)9-15-7-4-8-17(15)31-11-14-5-2-1-3-6-14/h6-9,13-15,18,20-21,23-24,26,31-33H,3-5,10-12H2,1-2H3;1-3,5-6,12-13,15,17-18,20-21,23,28-30H,4,7-11H2/t18?,20-,21-,23-,24-,26-;15?,17-,18-,20-,21-,23-/m11/s1.

What are the key properties of (2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-[[(2R)-2-phenylmethoxycyclopentyl]methyl]purin-9-yl]oxolane-3,4-diol;(2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-[[(2R)-2-[(4-propan-2-ylphenyl)methoxy]cyclopentyl]methyl]purin-9-yl]oxolane-3,4-diol?

(2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-[[(2R)-2-phenylmethoxycyclopentyl]methyl]purin-9-yl]oxolane-3,4-diol;(2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-[[(2R)-2-[(4-propan-2-ylphenyl)methoxy]cyclopentyl]methyl]purin-9-yl]oxolane-3,4-diol has a molecular weight of 923.08 g/mol, XLogP of 3.86, 15 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-[[(2R)-2-phenylmethoxycyclopentyl]methyl]purin-9-yl]oxolane-3,4-diol;(2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-[[(2R)-2-[(4-propan-2-ylphenyl)methoxy]cyclopentyl]methyl]purin-9-yl]oxolane-3,4-diol is sourced from PubChem (CID 165062095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).