(2R,3R,4S,5R)-2-[6-[3-[2-[2-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]ethoxy]ethoxy]propylamino]purin-9-yl]-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;(2R,3R,4S,5R)-2-(6-butylpurin-9-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;(2R,3S,4R,5R)-2-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-5-(6-pentylpurin-9-yl)oxolane-3,4-diol

C65H111N14O14P3 — CID 157267293

About (2R,3R,4S,5R)-2-[6-[3-[2-[2-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]ethoxy]ethoxy]propylamino]purin-9-yl]-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;(2R,3R,4S,5R)-2-(6-butylpurin-9-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;(2R,3S,4R,5R)-2-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-5-(6-pentylpurin-9-yl)oxolane-3,4-diol

(2R,3R,4S,5R)-2-[6-[3-[2-[2-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]ethoxy]ethoxy]propylamino]purin-9-yl]-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;(2R,3R,4S,5R)-2-(6-butylpurin-9-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;(2R,3S,4R,5R)-2-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-5-(6-pentylpurin-9-yl)oxolane-3,4-diol (PubChem CID 157267293) has the molecular formula C65H111N14O14P3 and a molecular weight of 1405.61 g/mol. Its IUPAC name is (2R,3R,4S,5R)-2-[6-[3-[2-[2-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]ethoxy]ethoxy]propylamino]purin-9-yl]-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;(2R,3R,4S,5R)-2-(6-butylpurin-9-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;(2R,3S,4R,5R)-2-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-5-(6-pentylpurin-9-yl)oxolane-3,4-diol.

Molecular Properties

• Compound Name: (2R,3R,4S,5R)-2-[6-[3-[2-[2-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]ethoxy]ethoxy]propylamino]purin-9-yl]-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;(2R,3R,4S,5R)-2-(6-butylpurin-9-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;(2R,3S,4R,5R)-2-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-5-(6-pentylpurin-9-yl)oxolane-3,4-diol
• PubChem CID: 157267293
• Molecular Formula: C65H111N14O14P3
• Molecular Weight: 1405.61 g/mol
• Exact Mass: 1404.76
• IUPAC Name: (2R,3R,4S,5R)-2-[6-[3-[2-[2-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]ethoxy]ethoxy]propylamino]purin-9-yl]-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;(2R,3R,4S,5R)-2-(6-butylpurin-9-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;(2R,3S,4R,5R)-2-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-5-(6-pentylpurin-9-yl)oxolane-3,4-diol
• SMILES: C=P(C)(C)CC[C@H]1O[C@@H](n2cnc3c(CCCC)ncnc32)[C@H](O)[C@@H]1O.C=P(C)(C)CC[C@H]1O[C@@H](n2cnc3c(CCCCC)ncnc32)[C@H](O)[C@@H]1O.C=P(C)(C)CC[C@H]1O[C@@H](n2cnc3c(NCCCOCCOCCOCCOCCOCCCN)ncnc32)[C@H](O)[C@@H]1O
• InChI: InChI=1S/C28H51N6O8P.C19H31N4O3P.C18H29N4O3P/c1-43(2,3)19-6-22-24(35)25(36)28(42-22)34-21-33-23-26(31-20-32-27(23)34)30-8-5-10-38-12-14-40-16-18-41-17-15-39-13-11-37-9-4-7-29;1-5-6-7-8-13-15-18(21-11-20-13)23(12-22-15)19-17(25)16(24)14(26-19)9-10-27(2,3)4;1-5-6-7-12-14-17(20-10-19-12)22(11-21-14)18-16(24)15(23)13(25-18)8-9-26(2,3)4/h20-22,24-25,28,35-36H,1,4-19,29H2,2-3H3,(H,30,31,32);11-12,14,16-17,19,24-25H,2,5-10H2,1,3-4H3;10-11,13,15-16,18,23-24H,2,5-9H2,1,3-4H3/t22-,24-,25-,28-;14-,16-,17-,19-;13-,15-,16-,18-/m111/s1
• InChIKey: AYDIUNSRWJFEGF-SXJJMVKNSA-N
• XLogP: 4.94
• TPSA: 364.07 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 28
• Rotatable Bonds: 39
• Heavy Atoms: 96
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1405.61
LogP ≤ 5	4.94
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5R)-2-[6-[3-[2-[2-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]ethoxy]ethoxy]propylamino]purin-9-yl]-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;(2R,3R,4S,5R)-2-(6-butylpurin-9-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;(2R,3S,4R,5R)-2-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-5-(6-pentylpurin-9-yl)oxolane-3,4-diol?

The IUPAC name of (2R,3R,4S,5R)-2-[6-[3-[2-[2-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]ethoxy]ethoxy]propylamino]purin-9-yl]-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;(2R,3R,4S,5R)-2-(6-butylpurin-9-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;(2R,3S,4R,5R)-2-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-5-(6-pentylpurin-9-yl)oxolane-3,4-diol (CID 157267293) is (2R,3R,4S,5R)-2-[6-[3-[2-[2-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]ethoxy]ethoxy]propylamino]purin-9-yl]-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;(2R,3R,4S,5R)-2-(6-butylpurin-9-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;(2R,3S,4R,5R)-2-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-5-(6-pentylpurin-9-yl)oxolane-3,4-diol.

What is the SMILES notation for (2R,3R,4S,5R)-2-[6-[3-[2-[2-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]ethoxy]ethoxy]propylamino]purin-9-yl]-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;(2R,3R,4S,5R)-2-(6-butylpurin-9-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;(2R,3S,4R,5R)-2-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-5-(6-pentylpurin-9-yl)oxolane-3,4-diol?

The canonical SMILES for (2R,3R,4S,5R)-2-[6-[3-[2-[2-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]ethoxy]ethoxy]propylamino]purin-9-yl]-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;(2R,3R,4S,5R)-2-(6-butylpurin-9-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;(2R,3S,4R,5R)-2-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-5-(6-pentylpurin-9-yl)oxolane-3,4-diol is C=P(C)(C)CC[C@H]1O[C@@H](n2cnc3c(CCCC)ncnc32)[C@H](O)[C@@H]1O.C=P(C)(C)CC[C@H]1O[C@@H](n2cnc3c(CCCCC)ncnc32)[C@H](O)[C@@H]1O.C=P(C)(C)CC[C@H]1O[C@@H](n2cnc3c(NCCCOCCOCCOCCOCCOCCCN)ncnc32)[C@H](O)[C@@H]1O.

What is the InChIKey of (2R,3R,4S,5R)-2-[6-[3-[2-[2-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]ethoxy]ethoxy]propylamino]purin-9-yl]-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;(2R,3R,4S,5R)-2-(6-butylpurin-9-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;(2R,3S,4R,5R)-2-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-5-(6-pentylpurin-9-yl)oxolane-3,4-diol?

The InChIKey is AYDIUNSRWJFEGF-SXJJMVKNSA-N. The full InChI is InChI=1S/C28H51N6O8P.C19H31N4O3P.C18H29N4O3P/c1-43(2,3)19-6-22-24(35)25(36)28(42-22)34-21-33-23-26(31-20-32-27(23)34)30-8-5-10-38-12-14-40-16-18-41-17-15-39-13-11-37-9-4-7-29;1-5-6-7-8-13-15-18(21-11-20-13)23(12-22-15)19-17(25)16(24)14(26-19)9-10-27(2,3)4;1-5-6-7-12-14-17(20-10-19-12)22(11-21-14)18-16(24)15(23)13(25-18)8-9-26(2,3)4/h20-22,24-25,28,35-36H,1,4-19,29H2,2-3H3,(H,30,31,32);11-12,14,16-17,19,24-25H,2,5-10H2,1,3-4H3;10-11,13,15-16,18,23-24H,2,5-9H2,1,3-4H3/t22-,24-,25-,28-;14-,16-,17-,19-;13-,15-,16-,18-/m111/s1.

What are the key properties of (2R,3R,4S,5R)-2-[6-[3-[2-[2-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]ethoxy]ethoxy]propylamino]purin-9-yl]-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;(2R,3R,4S,5R)-2-(6-butylpurin-9-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;(2R,3S,4R,5R)-2-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-5-(6-pentylpurin-9-yl)oxolane-3,4-diol?

(2R,3R,4S,5R)-2-[6-[3-[2-[2-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]ethoxy]ethoxy]propylamino]purin-9-yl]-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;(2R,3R,4S,5R)-2-(6-butylpurin-9-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;(2R,3S,4R,5R)-2-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-5-(6-pentylpurin-9-yl)oxolane-3,4-diol has a molecular weight of 1405.61 g/mol, XLogP of 4.94, 39 rotatable bonds, 8 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3R,4S,5R)-2-[6-[3-[2-[2-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]ethoxy]ethoxy]propylamino]purin-9-yl]-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;(2R,3R,4S,5R)-2-(6-butylpurin-9-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;(2R,3S,4R,5R)-2-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-5-(6-pentylpurin-9-yl)oxolane-3,4-diol is sourced from PubChem (CID 157267293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).