(2R,3R,4S,5R)-2-(7-amino-2-ethylimidazo[4,5-b]pyridin-3-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;(2R,3R,4S,5R)-2-(7-amino-2-methylimidazo[4,5-b]pyridin-3-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;(2R,3S,4R,5R)-2-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-5-[2-methoxy-6-[[(Z)-3-methylpent-2-enyl]amino]purin-9-yl]oxolane-3,4-diol;(2R,3S,4R,5R)-2-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-5-[6-[[(Z)-3-methylpent-2-enyl]amino]purin-9-yl]oxolane-3,4-diol;ethane

C76H124N18O13P4 — CID 161349177

About (2R,3R,4S,5R)-2-(7-amino-2-ethylimidazo[4,5-b]pyridin-3-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;(2R,3R,4S,5R)-2-(7-amino-2-methylimidazo[4,5-b]pyridin-3-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;(2R,3S,4R,5R)-2-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-5-[2-methoxy-6-[[(Z)-3-methylpent-2-enyl]amino]purin-9-yl]oxolane-3,4-diol;(2R,3S,4R,5R)-2-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-5-[6-[[(Z)-3-methylpent-2-enyl]amino]purin-9-yl]oxolane-3,4-diol;ethane

(2R,3R,4S,5R)-2-(7-amino-2-ethylimidazo[4,5-b]pyridin-3-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;(2R,3R,4S,5R)-2-(7-amino-2-methylimidazo[4,5-b]pyridin-3-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;(2R,3S,4R,5R)-2-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-5-[2-methoxy-6-[[(Z)-3-methylpent-2-enyl]amino]purin-9-yl]oxolane-3,4-diol;(2R,3S,4R,5R)-2-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-5-[6-[[(Z)-3-methylpent-2-enyl]amino]purin-9-yl]oxolane-3,4-diol;ethane (PubChem CID 161349177) has the molecular formula C76H124N18O13P4 and a molecular weight of 1621.84 g/mol. Its IUPAC name is (2R,3R,4S,5R)-2-(7-amino-2-ethylimidazo[4,5-b]pyridin-3-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;(2R,3R,4S,5R)-2-(7-amino-2-methylimidazo[4,5-b]pyridin-3-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;(2R,3S,4R,5R)-2-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-5-[2-methoxy-6-[[(Z)-3-methylpent-2-enyl]amino]purin-9-yl]oxolane-3,4-diol;(2R,3S,4R,5R)-2-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-5-[6-[[(Z)-3-methylpent-2-enyl]amino]purin-9-yl]oxolane-3,4-diol;ethane.

Molecular Properties

• Compound Name: (2R,3R,4S,5R)-2-(7-amino-2-ethylimidazo[4,5-b]pyridin-3-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;(2R,3R,4S,5R)-2-(7-amino-2-methylimidazo[4,5-b]pyridin-3-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;(2R,3S,4R,5R)-2-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-5-[2-methoxy-6-[[(Z)-3-methylpent-2-enyl]amino]purin-9-yl]oxolane-3,4-diol;(2R,3S,4R,5R)-2-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-5-[6-[[(Z)-3-methylpent-2-enyl]amino]purin-9-yl]oxolane-3,4-diol;ethane
• PubChem CID: 161349177
• Molecular Formula: C76H124N18O13P4
• Molecular Weight: 1621.84 g/mol
• Exact Mass: 1620.85
• IUPAC Name: (2R,3R,4S,5R)-2-(7-amino-2-ethylimidazo[4,5-b]pyridin-3-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;(2R,3R,4S,5R)-2-(7-amino-2-methylimidazo[4,5-b]pyridin-3-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;(2R,3S,4R,5R)-2-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-5-[2-methoxy-6-[[(Z)-3-methylpent-2-enyl]amino]purin-9-yl]oxolane-3,4-diol;(2R,3S,4R,5R)-2-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-5-[6-[[(Z)-3-methylpent-2-enyl]amino]purin-9-yl]oxolane-3,4-diol;ethane
• SMILES: C=P(C)(C)CC[C@H]1O[C@@H](n2c(C)nc3c(N)ccnc32)[C@H](O)[C@@H]1O.C=P(C)(C)CC[C@H]1O[C@@H](n2c(CC)nc3c(N)ccnc32)[C@H](O)[C@@H]1O.C=P(C)(C)CC[C@H]1O[C@@H](n2cnc3c(NC/C=C(/C)CC)nc(OC)nc32)[C@H](O)[C@@H]1O.C=P(C)(C)CC[C@H]1O[C@@H](n2cnc3c(NC/C=C(/C)CC)ncnc32)[C@H](O)[C@@H]1O.CC
• InChI: InChI=1S/C21H34N5O4P.C20H32N5O3P.C17H27N4O3P.C16H25N4O3P.C2H6/c1-7-13(2)8-10-22-18-15-19(25-21(24-18)29-3)26(12-23-15)20-17(28)16(27)14(30-20)9-11-31(4,5)6;1-6-13(2)7-9-21-18-15-19(23-11-22-18)25(12-24-15)20-17(27)16(26)14(28-20)8-10-29(3,4)5;1-5-12-20-13-10(18)6-8-19-16(13)21(12)17-15(23)14(22)11(24-17)7-9-25(2,3)4;1-9-19-12-10(17)5-7-18-15(12)20(9)16-14(22)13(21)11(23-16)6-8-24(2,3)4;1-2/h8,12,14,16-17,20,27-28H,4,7,9-11H2,1-3,5-6H3,(H,22,24,25);7,11-12,14,16-17,20,26-27H,3,6,8-10H2,1-2,4-5H3,(H,21,22,23);6,8,11,14-15,17,22-23H,2,5,7,9H2,1,3-4H3,(H2,18,19);5,7,11,13-14,16,21-22H,2,6,8H2,1,3-4H3,(H2,17,18);1-2H3/b13-8-;13-7-;;;/t2*14-,16-,17-,20-;11-,14-,15-,17-;11-,13-,14-,16-;/m1111./s1
• InChIKey: VNSBZBZYFDYSQU-JAXLBSMNSA-N
• XLogP: 8.00
• TPSA: 432.71 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 31
• Rotatable Bonds: 26
• Heavy Atoms: 111
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1621.84
LogP ≤ 5	8.00
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5R)-2-(7-amino-2-ethylimidazo[4,5-b]pyridin-3-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;(2R,3R,4S,5R)-2-(7-amino-2-methylimidazo[4,5-b]pyridin-3-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;(2R,3S,4R,5R)-2-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-5-[2-methoxy-6-[[(Z)-3-methylpent-2-enyl]amino]purin-9-yl]oxolane-3,4-diol;(2R,3S,4R,5R)-2-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-5-[6-[[(Z)-3-methylpent-2-enyl]amino]purin-9-yl]oxolane-3,4-diol;ethane?

The IUPAC name of (2R,3R,4S,5R)-2-(7-amino-2-ethylimidazo[4,5-b]pyridin-3-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;(2R,3R,4S,5R)-2-(7-amino-2-methylimidazo[4,5-b]pyridin-3-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;(2R,3S,4R,5R)-2-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-5-[2-methoxy-6-[[(Z)-3-methylpent-2-enyl]amino]purin-9-yl]oxolane-3,4-diol;(2R,3S,4R,5R)-2-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-5-[6-[[(Z)-3-methylpent-2-enyl]amino]purin-9-yl]oxolane-3,4-diol;ethane (CID 161349177) is (2R,3R,4S,5R)-2-(7-amino-2-ethylimidazo[4,5-b]pyridin-3-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;(2R,3R,4S,5R)-2-(7-amino-2-methylimidazo[4,5-b]pyridin-3-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;(2R,3S,4R,5R)-2-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-5-[2-methoxy-6-[[(Z)-3-methylpent-2-enyl]amino]purin-9-yl]oxolane-3,4-diol;(2R,3S,4R,5R)-2-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-5-[6-[[(Z)-3-methylpent-2-enyl]amino]purin-9-yl]oxolane-3,4-diol;ethane.

What is the SMILES notation for (2R,3R,4S,5R)-2-(7-amino-2-ethylimidazo[4,5-b]pyridin-3-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;(2R,3R,4S,5R)-2-(7-amino-2-methylimidazo[4,5-b]pyridin-3-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;(2R,3S,4R,5R)-2-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-5-[2-methoxy-6-[[(Z)-3-methylpent-2-enyl]amino]purin-9-yl]oxolane-3,4-diol;(2R,3S,4R,5R)-2-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-5-[6-[[(Z)-3-methylpent-2-enyl]amino]purin-9-yl]oxolane-3,4-diol;ethane?

The canonical SMILES for (2R,3R,4S,5R)-2-(7-amino-2-ethylimidazo[4,5-b]pyridin-3-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;(2R,3R,4S,5R)-2-(7-amino-2-methylimidazo[4,5-b]pyridin-3-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;(2R,3S,4R,5R)-2-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-5-[2-methoxy-6-[[(Z)-3-methylpent-2-enyl]amino]purin-9-yl]oxolane-3,4-diol;(2R,3S,4R,5R)-2-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-5-[6-[[(Z)-3-methylpent-2-enyl]amino]purin-9-yl]oxolane-3,4-diol;ethane is C=P(C)(C)CC[C@H]1O[C@@H](n2c(C)nc3c(N)ccnc32)[C@H](O)[C@@H]1O.C=P(C)(C)CC[C@H]1O[C@@H](n2c(CC)nc3c(N)ccnc32)[C@H](O)[C@@H]1O.C=P(C)(C)CC[C@H]1O[C@@H](n2cnc3c(NC/C=C(/C)CC)nc(OC)nc32)[C@H](O)[C@@H]1O.C=P(C)(C)CC[C@H]1O[C@@H](n2cnc3c(NC/C=C(/C)CC)ncnc32)[C@H](O)[C@@H]1O.CC.

What is the InChIKey of (2R,3R,4S,5R)-2-(7-amino-2-ethylimidazo[4,5-b]pyridin-3-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;(2R,3R,4S,5R)-2-(7-amino-2-methylimidazo[4,5-b]pyridin-3-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;(2R,3S,4R,5R)-2-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-5-[2-methoxy-6-[[(Z)-3-methylpent-2-enyl]amino]purin-9-yl]oxolane-3,4-diol;(2R,3S,4R,5R)-2-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-5-[6-[[(Z)-3-methylpent-2-enyl]amino]purin-9-yl]oxolane-3,4-diol;ethane?

The InChIKey is VNSBZBZYFDYSQU-JAXLBSMNSA-N. The full InChI is InChI=1S/C21H34N5O4P.C20H32N5O3P.C17H27N4O3P.C16H25N4O3P.C2H6/c1-7-13(2)8-10-22-18-15-19(25-21(24-18)29-3)26(12-23-15)20-17(28)16(27)14(30-20)9-11-31(4,5)6;1-6-13(2)7-9-21-18-15-19(23-11-22-18)25(12-24-15)20-17(27)16(26)14(28-20)8-10-29(3,4)5;1-5-12-20-13-10(18)6-8-19-16(13)21(12)17-15(23)14(22)11(24-17)7-9-25(2,3)4;1-9-19-12-10(17)5-7-18-15(12)20(9)16-14(22)13(21)11(23-16)6-8-24(2,3)4;1-2/h8,12,14,16-17,20,27-28H,4,7,9-11H2,1-3,5-6H3,(H,22,24,25);7,11-12,14,16-17,20,26-27H,3,6,8-10H2,1-2,4-5H3,(H,21,22,23);6,8,11,14-15,17,22-23H,2,5,7,9H2,1,3-4H3,(H2,18,19);5,7,11,13-14,16,21-22H,2,6,8H2,1,3-4H3,(H2,17,18);1-2H3/b13-8-;13-7-;;;/t2*14-,16-,17-,20-;11-,14-,15-,17-;11-,13-,14-,16-;/m1111./s1.

What are the key properties of (2R,3R,4S,5R)-2-(7-amino-2-ethylimidazo[4,5-b]pyridin-3-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;(2R,3R,4S,5R)-2-(7-amino-2-methylimidazo[4,5-b]pyridin-3-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;(2R,3S,4R,5R)-2-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-5-[2-methoxy-6-[[(Z)-3-methylpent-2-enyl]amino]purin-9-yl]oxolane-3,4-diol;(2R,3S,4R,5R)-2-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-5-[6-[[(Z)-3-methylpent-2-enyl]amino]purin-9-yl]oxolane-3,4-diol;ethane?

(2R,3R,4S,5R)-2-(7-amino-2-ethylimidazo[4,5-b]pyridin-3-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;(2R,3R,4S,5R)-2-(7-amino-2-methylimidazo[4,5-b]pyridin-3-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;(2R,3S,4R,5R)-2-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-5-[2-methoxy-6-[[(Z)-3-methylpent-2-enyl]amino]purin-9-yl]oxolane-3,4-diol;(2R,3S,4R,5R)-2-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-5-[6-[[(Z)-3-methylpent-2-enyl]amino]purin-9-yl]oxolane-3,4-diol;ethane has a molecular weight of 1621.84 g/mol, XLogP of 8.00, 26 rotatable bonds, 12 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3R,4S,5R)-2-(7-amino-2-ethylimidazo[4,5-b]pyridin-3-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;(2R,3R,4S,5R)-2-(7-amino-2-methylimidazo[4,5-b]pyridin-3-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;(2R,3S,4R,5R)-2-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-5-[2-methoxy-6-[[(Z)-3-methylpent-2-enyl]amino]purin-9-yl]oxolane-3,4-diol;(2R,3S,4R,5R)-2-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-5-[6-[[(Z)-3-methylpent-2-enyl]amino]purin-9-yl]oxolane-3,4-diol;ethane is sourced from PubChem (CID 161349177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).