(2R,5R)-7-[2-[2-[(2R,5R)-2,5-dimethyl-7-phosphabicyclo[2.2.1]heptan-7-yl]-6-methoxyphenyl]-3-methoxyphenyl]-2,5-dimethyl-7-phosphabicyclo[2.2.1]heptane;(2R,5R)-7-[2-[(2R,5R)-2,5-dimethyl-7-phosphabicyclo[2.2.1]heptan-7-yl]phenyl]-2,5-dimethyl-7-phosphabicyclo[2.2.1]heptane

C52H72O2P4 — CID 54560272

About (2R,5R)-7-[2-[2-[(2R,5R)-2,5-dimethyl-7-phosphabicyclo[2.2.1]heptan-7-yl]-6-methoxyphenyl]-3-methoxyphenyl]-2,5-dimethyl-7-phosphabicyclo[2.2.1]heptane;(2R,5R)-7-[2-[(2R,5R)-2,5-dimethyl-7-phosphabicyclo[2.2.1]heptan-7-yl]phenyl]-2,5-dimethyl-7-phosphabicyclo[2.2.1]heptane

(2R,5R)-7-[2-[2-[(2R,5R)-2,5-dimethyl-7-phosphabicyclo[2.2.1]heptan-7-yl]-6-methoxyphenyl]-3-methoxyphenyl]-2,5-dimethyl-7-phosphabicyclo[2.2.1]heptane;(2R,5R)-7-[2-[(2R,5R)-2,5-dimethyl-7-phosphabicyclo[2.2.1]heptan-7-yl]phenyl]-2,5-dimethyl-7-phosphabicyclo[2.2.1]heptane (PubChem CID 54560272) has the molecular formula C52H72O2P4 and a molecular weight of 853.04 g/mol. Its IUPAC name is (2R,5R)-7-[2-[2-[(2R,5R)-2,5-dimethyl-7-phosphabicyclo[2.2.1]heptan-7-yl]-6-methoxyphenyl]-3-methoxyphenyl]-2,5-dimethyl-7-phosphabicyclo[2.2.1]heptane;(2R,5R)-7-[2-[(2R,5R)-2,5-dimethyl-7-phosphabicyclo[2.2.1]heptan-7-yl]phenyl]-2,5-dimethyl-7-phosphabicyclo[2.2.1]heptane.

Molecular Properties

• Compound Name: (2R,5R)-7-[2-[2-[(2R,5R)-2,5-dimethyl-7-phosphabicyclo[2.2.1]heptan-7-yl]-6-methoxyphenyl]-3-methoxyphenyl]-2,5-dimethyl-7-phosphabicyclo[2.2.1]heptane;(2R,5R)-7-[2-[(2R,5R)-2,5-dimethyl-7-phosphabicyclo[2.2.1]heptan-7-yl]phenyl]-2,5-dimethyl-7-phosphabicyclo[2.2.1]heptane
• PubChem CID: 54560272
• Molecular Formula: C52H72O2P4
• Molecular Weight: 853.04 g/mol
• Exact Mass: 852.45
• IUPAC Name: (2R,5R)-7-[2-[2-[(2R,5R)-2,5-dimethyl-7-phosphabicyclo[2.2.1]heptan-7-yl]-6-methoxyphenyl]-3-methoxyphenyl]-2,5-dimethyl-7-phosphabicyclo[2.2.1]heptane;(2R,5R)-7-[2-[(2R,5R)-2,5-dimethyl-7-phosphabicyclo[2.2.1]heptan-7-yl]phenyl]-2,5-dimethyl-7-phosphabicyclo[2.2.1]heptane
• SMILES: COc1cccc(P2C3C[C@@H](C)C2C[C@H]3C)c1-c1c(OC)cccc1P1C2C[C@@H](C)C1C[C@H]2C.C[C@@H]1CC2[C@H](C)CC1P2c1ccccc1P1C2C[C@@H](C)C1C[C@H]2C
• InChI: InChI=1S/C30H40O2P2.C22H32P2/c1-17-13-26-18(2)14-25(17)33(26)23-11-7-9-21(31-5)29(23)30-22(32-6)10-8-12-24(30)34-27-16-20(4)28(34)15-19(27)3;1-13-9-20-14(2)10-19(13)23(20)17-7-5-6-8-18(17)24-21-12-16(4)22(24)11-15(21)3/h7-12,17-20,25-28H,13-16H2,1-6H3;5-8,13-16,19-22H,9-12H2,1-4H3/t17-,18-,19-,20-,25?,26?,27?,28?,33?,34?;13-,14-,15-,16-,19?,20?,21?,22?,23?,24?/m11/s1
• InChIKey: ZQBAWSYKSOMCOS-CBWZPGIYSA-N
• XLogP: 12.75
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	853.04
LogP ≤ 5	12.75
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2R,5R)-7-[2-[2-[(2R,5R)-2,5-dimethyl-7-phosphabicyclo[2.2.1]heptan-7-yl]-6-methoxyphenyl]-3-methoxyphenyl]-2,5-dimethyl-7-phosphabicyclo[2.2.1]heptane;(2R,5R)-7-[2-[(2R,5R)-2,5-dimethyl-7-phosphabicyclo[2.2.1]heptan-7-yl]phenyl]-2,5-dimethyl-7-phosphabicyclo[2.2.1]heptane?

The IUPAC name of (2R,5R)-7-[2-[2-[(2R,5R)-2,5-dimethyl-7-phosphabicyclo[2.2.1]heptan-7-yl]-6-methoxyphenyl]-3-methoxyphenyl]-2,5-dimethyl-7-phosphabicyclo[2.2.1]heptane;(2R,5R)-7-[2-[(2R,5R)-2,5-dimethyl-7-phosphabicyclo[2.2.1]heptan-7-yl]phenyl]-2,5-dimethyl-7-phosphabicyclo[2.2.1]heptane (CID 54560272) is (2R,5R)-7-[2-[2-[(2R,5R)-2,5-dimethyl-7-phosphabicyclo[2.2.1]heptan-7-yl]-6-methoxyphenyl]-3-methoxyphenyl]-2,5-dimethyl-7-phosphabicyclo[2.2.1]heptane;(2R,5R)-7-[2-[(2R,5R)-2,5-dimethyl-7-phosphabicyclo[2.2.1]heptan-7-yl]phenyl]-2,5-dimethyl-7-phosphabicyclo[2.2.1]heptane.

What is the SMILES notation for (2R,5R)-7-[2-[2-[(2R,5R)-2,5-dimethyl-7-phosphabicyclo[2.2.1]heptan-7-yl]-6-methoxyphenyl]-3-methoxyphenyl]-2,5-dimethyl-7-phosphabicyclo[2.2.1]heptane;(2R,5R)-7-[2-[(2R,5R)-2,5-dimethyl-7-phosphabicyclo[2.2.1]heptan-7-yl]phenyl]-2,5-dimethyl-7-phosphabicyclo[2.2.1]heptane?

The canonical SMILES for (2R,5R)-7-[2-[2-[(2R,5R)-2,5-dimethyl-7-phosphabicyclo[2.2.1]heptan-7-yl]-6-methoxyphenyl]-3-methoxyphenyl]-2,5-dimethyl-7-phosphabicyclo[2.2.1]heptane;(2R,5R)-7-[2-[(2R,5R)-2,5-dimethyl-7-phosphabicyclo[2.2.1]heptan-7-yl]phenyl]-2,5-dimethyl-7-phosphabicyclo[2.2.1]heptane is COc1cccc(P2C3C[C@@H](C)C2C[C@H]3C)c1-c1c(OC)cccc1P1C2C[C@@H](C)C1C[C@H]2C.C[C@@H]1CC2[C@H](C)CC1P2c1ccccc1P1C2C[C@@H](C)C1C[C@H]2C.

What is the InChIKey of (2R,5R)-7-[2-[2-[(2R,5R)-2,5-dimethyl-7-phosphabicyclo[2.2.1]heptan-7-yl]-6-methoxyphenyl]-3-methoxyphenyl]-2,5-dimethyl-7-phosphabicyclo[2.2.1]heptane;(2R,5R)-7-[2-[(2R,5R)-2,5-dimethyl-7-phosphabicyclo[2.2.1]heptan-7-yl]phenyl]-2,5-dimethyl-7-phosphabicyclo[2.2.1]heptane?

The InChIKey is ZQBAWSYKSOMCOS-CBWZPGIYSA-N. The full InChI is InChI=1S/C30H40O2P2.C22H32P2/c1-17-13-26-18(2)14-25(17)33(26)23-11-7-9-21(31-5)29(23)30-22(32-6)10-8-12-24(30)34-27-16-20(4)28(34)15-19(27)3;1-13-9-20-14(2)10-19(13)23(20)17-7-5-6-8-18(17)24-21-12-16(4)22(24)11-15(21)3/h7-12,17-20,25-28H,13-16H2,1-6H3;5-8,13-16,19-22H,9-12H2,1-4H3/t17-,18-,19-,20-,25?,26?,27?,28?,33?,34?;13-,14-,15-,16-,19?,20?,21?,22?,23?,24?/m11/s1.

What are the key properties of (2R,5R)-7-[2-[2-[(2R,5R)-2,5-dimethyl-7-phosphabicyclo[2.2.1]heptan-7-yl]-6-methoxyphenyl]-3-methoxyphenyl]-2,5-dimethyl-7-phosphabicyclo[2.2.1]heptane;(2R,5R)-7-[2-[(2R,5R)-2,5-dimethyl-7-phosphabicyclo[2.2.1]heptan-7-yl]phenyl]-2,5-dimethyl-7-phosphabicyclo[2.2.1]heptane?

(2R,5R)-7-[2-[2-[(2R,5R)-2,5-dimethyl-7-phosphabicyclo[2.2.1]heptan-7-yl]-6-methoxyphenyl]-3-methoxyphenyl]-2,5-dimethyl-7-phosphabicyclo[2.2.1]heptane;(2R,5R)-7-[2-[(2R,5R)-2,5-dimethyl-7-phosphabicyclo[2.2.1]heptan-7-yl]phenyl]-2,5-dimethyl-7-phosphabicyclo[2.2.1]heptane has a molecular weight of 853.04 g/mol, XLogP of 12.75, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,5R)-7-[2-[2-[(2R,5R)-2,5-dimethyl-7-phosphabicyclo[2.2.1]heptan-7-yl]-6-methoxyphenyl]-3-methoxyphenyl]-2,5-dimethyl-7-phosphabicyclo[2.2.1]heptane;(2R,5R)-7-[2-[(2R,5R)-2,5-dimethyl-7-phosphabicyclo[2.2.1]heptan-7-yl]phenyl]-2,5-dimethyl-7-phosphabicyclo[2.2.1]heptane is sourced from PubChem (CID 54560272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).