9-[(6R,7R,7aR)-2-[3-[[(4aR,6R,7R,7aR)-6-(2-amino-6-ethoxy-7,8-dihydropurin-9-yl)-7-fluoro-7-methyl-2-oxo-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxy]phenoxy]-7-fluoro-7-methyl-2-oxo-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-6-yl]-6-ethoxypurin-2-amine

C32H38F2N10O12P2 — CID 126710180

About 9-[(6R,7R,7aR)-2-[3-[[(4aR,6R,7R,7aR)-6-(2-amino-6-ethoxy-7,8-dihydropurin-9-yl)-7-fluoro-7-methyl-2-oxo-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxy]phenoxy]-7-fluoro-7-methyl-2-oxo-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-6-yl]-6-ethoxypurin-2-amine

9-[(6R,7R,7aR)-2-[3-[[(4aR,6R,7R,7aR)-6-(2-amino-6-ethoxy-7,8-dihydropurin-9-yl)-7-fluoro-7-methyl-2-oxo-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxy]phenoxy]-7-fluoro-7-methyl-2-oxo-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-6-yl]-6-ethoxypurin-2-amine (PubChem CID 126710180) has the molecular formula C32H38F2N10O12P2 and a molecular weight of 854.66 g/mol. Its IUPAC name is 9-[(6R,7R,7aR)-2-[3-[[(4aR,6R,7R,7aR)-6-(2-amino-6-ethoxy-7,8-dihydropurin-9-yl)-7-fluoro-7-methyl-2-oxo-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxy]phenoxy]-7-fluoro-7-methyl-2-oxo-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-6-yl]-6-ethoxypurin-2-amine.

Molecular Properties

• Compound Name: 9-[(6R,7R,7aR)-2-[3-[[(4aR,6R,7R,7aR)-6-(2-amino-6-ethoxy-7,8-dihydropurin-9-yl)-7-fluoro-7-methyl-2-oxo-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxy]phenoxy]-7-fluoro-7-methyl-2-oxo-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-6-yl]-6-ethoxypurin-2-amine
• PubChem CID: 126710180
• Molecular Formula: C32H38F2N10O12P2
• Molecular Weight: 854.66 g/mol
• Exact Mass: 854.21
• IUPAC Name: 9-[(6R,7R,7aR)-2-[3-[[(4aR,6R,7R,7aR)-6-(2-amino-6-ethoxy-7,8-dihydropurin-9-yl)-7-fluoro-7-methyl-2-oxo-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxy]phenoxy]-7-fluoro-7-methyl-2-oxo-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-6-yl]-6-ethoxypurin-2-amine
• SMILES: CCOc1nc(N)nc2c1NCN2[C@@H]1O[C@@H]2COP(=O)(Oc3cccc(OP4(=O)OCC5O[C@@H](n6cnc7c(OCC)nc(N)nc76)[C@](C)(F)[C@@H]5O4)c3)O[C@H]2[C@@]1(C)F
• InChI: InChI=1S/C32H38F2N10O12P2/c1-5-47-25-19-23(39-29(35)41-25)43(13-37-19)27-31(3,33)21-17(51-27)11-49-57(45,55-21)53-15-8-7-9-16(10-15)54-58(46)50-12-18-22(56-58)32(4,34)28(52-18)44-14-38-20-24(44)40-30(36)42-26(20)48-6-2/h7-10,13,17-18,21-22,27-28,38H,5-6,11-12,14H2,1-4H3,(H2,35,39,41)(H2,36,40,42)/t17?,18-,21-,22-,27-,28-,31-,32-,57?,58?/m1/s1
• InChIKey: NRPJKWLDDYVCMK-COZGKVRVSA-N
• XLogP: 4.05
• TPSA: 263.13 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 22
• Rotatable Bonds: 10
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	854.66
LogP ≤ 5	4.05
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9-[(6R,7R,7aR)-2-[3-[[(4aR,6R,7R,7aR)-6-(2-amino-6-ethoxy-7,8-dihydropurin-9-yl)-7-fluoro-7-methyl-2-oxo-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxy]phenoxy]-7-fluoro-7-methyl-2-oxo-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-6-yl]-6-ethoxypurin-2-amine?

The IUPAC name of 9-[(6R,7R,7aR)-2-[3-[[(4aR,6R,7R,7aR)-6-(2-amino-6-ethoxy-7,8-dihydropurin-9-yl)-7-fluoro-7-methyl-2-oxo-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxy]phenoxy]-7-fluoro-7-methyl-2-oxo-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-6-yl]-6-ethoxypurin-2-amine (CID 126710180) is 9-[(6R,7R,7aR)-2-[3-[[(4aR,6R,7R,7aR)-6-(2-amino-6-ethoxy-7,8-dihydropurin-9-yl)-7-fluoro-7-methyl-2-oxo-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxy]phenoxy]-7-fluoro-7-methyl-2-oxo-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-6-yl]-6-ethoxypurin-2-amine.

What is the SMILES notation for 9-[(6R,7R,7aR)-2-[3-[[(4aR,6R,7R,7aR)-6-(2-amino-6-ethoxy-7,8-dihydropurin-9-yl)-7-fluoro-7-methyl-2-oxo-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxy]phenoxy]-7-fluoro-7-methyl-2-oxo-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-6-yl]-6-ethoxypurin-2-amine?

The canonical SMILES for 9-[(6R,7R,7aR)-2-[3-[[(4aR,6R,7R,7aR)-6-(2-amino-6-ethoxy-7,8-dihydropurin-9-yl)-7-fluoro-7-methyl-2-oxo-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxy]phenoxy]-7-fluoro-7-methyl-2-oxo-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-6-yl]-6-ethoxypurin-2-amine is CCOc1nc(N)nc2c1NCN2[C@@H]1O[C@@H]2COP(=O)(Oc3cccc(OP4(=O)OCC5O[C@@H](n6cnc7c(OCC)nc(N)nc76)[C@](C)(F)[C@@H]5O4)c3)O[C@H]2[C@@]1(C)F.

What is the InChIKey of 9-[(6R,7R,7aR)-2-[3-[[(4aR,6R,7R,7aR)-6-(2-amino-6-ethoxy-7,8-dihydropurin-9-yl)-7-fluoro-7-methyl-2-oxo-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxy]phenoxy]-7-fluoro-7-methyl-2-oxo-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-6-yl]-6-ethoxypurin-2-amine?

The InChIKey is NRPJKWLDDYVCMK-COZGKVRVSA-N. The full InChI is InChI=1S/C32H38F2N10O12P2/c1-5-47-25-19-23(39-29(35)41-25)43(13-37-19)27-31(3,33)21-17(51-27)11-49-57(45,55-21)53-15-8-7-9-16(10-15)54-58(46)50-12-18-22(56-58)32(4,34)28(52-18)44-14-38-20-24(44)40-30(36)42-26(20)48-6-2/h7-10,13,17-18,21-22,27-28,38H,5-6,11-12,14H2,1-4H3,(H2,35,39,41)(H2,36,40,42)/t17?,18-,21-,22-,27-,28-,31-,32-,57?,58?/m1/s1.

What are the key properties of 9-[(6R,7R,7aR)-2-[3-[[(4aR,6R,7R,7aR)-6-(2-amino-6-ethoxy-7,8-dihydropurin-9-yl)-7-fluoro-7-methyl-2-oxo-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxy]phenoxy]-7-fluoro-7-methyl-2-oxo-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-6-yl]-6-ethoxypurin-2-amine?

9-[(6R,7R,7aR)-2-[3-[[(4aR,6R,7R,7aR)-6-(2-amino-6-ethoxy-7,8-dihydropurin-9-yl)-7-fluoro-7-methyl-2-oxo-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxy]phenoxy]-7-fluoro-7-methyl-2-oxo-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-6-yl]-6-ethoxypurin-2-amine has a molecular weight of 854.66 g/mol, XLogP of 4.05, 10 rotatable bonds, 3 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[(6R,7R,7aR)-2-[3-[[(4aR,6R,7R,7aR)-6-(2-amino-6-ethoxy-7,8-dihydropurin-9-yl)-7-fluoro-7-methyl-2-oxo-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxy]phenoxy]-7-fluoro-7-methyl-2-oxo-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-6-yl]-6-ethoxypurin-2-amine is sourced from PubChem (CID 126710180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).