(2S,5S)-1-[2-[(2S,5S)-2,5-bis(phenylmethoxymethyl)phospholan-1-yl]phenyl]-2,5-bis(phenylmethoxymethyl)phospholane

C46H52O4P2 — CID 59371896

IUPAC(2S,5S)-1-[2-[(2S,5S)-2,5-bis(phenylmethoxymethyl)phospholan-1-yl]phenyl]-2,5-bis(phenylmethoxymethyl)phospholane
SMILESc1ccc(COC[C@@H]2CC[C@@H](COCc3ccccc3)P2c2ccccc2P2[C@H](COCc3ccccc3)CC[C@H]2COCc2ccccc2)cc1
InChIInChI=1S/C46H52O4P2/c1-5-15-37(16-6-1)29-47-33-41-25-26-42(34-48-30-38-17-7-2-8-18-38)51(41)45-23-13-14-24-46(45)52-43(35-49-31-39-19-9-3-10-20-39)27-28-44(52)36-50-32-40-21-11-4-12-22-40/h1-24,41-44H,25-36H2/t41-,42-,43-,44-/m0/s1
InChIKeyMHTOWDUMJZFYTI-ITMZJIMRSA-N
MW730.87 g/mol
LogP9.83
Rot. Bonds18

About (2S,5S)-1-[2-[(2S,5S)-2,5-bis(phenylmethoxymethyl)phospholan-1-yl]phenyl]-2,5-bis(phenylmethoxymethyl)phospholane

(2S,5S)-1-[2-[(2S,5S)-2,5-bis(phenylmethoxymethyl)phospholan-1-yl]phenyl]-2,5-bis(phenylmethoxymethyl)phospholane (PubChem CID 59371896) has the molecular formula C46H52O4P2 and a molecular weight of 730.87 g/mol. Its IUPAC name is (2S,5S)-1-[2-[(2S,5S)-2,5-bis(phenylmethoxymethyl)phospholan-1-yl]phenyl]-2,5-bis(phenylmethoxymethyl)phospholane.

Molecular Properties

Compound Name(2S,5S)-1-[2-[(2S,5S)-2,5-bis(phenylmethoxymethyl)phospholan-1-yl]phenyl]-2,5-bis(phenylmethoxymethyl)phospholane
PubChem CID59371896
Molecular FormulaC46H52O4P2
Molecular Weight730.87 g/mol
Exact Mass730.33
IUPAC Name(2S,5S)-1-[2-[(2S,5S)-2,5-bis(phenylmethoxymethyl)phospholan-1-yl]phenyl]-2,5-bis(phenylmethoxymethyl)phospholane
SMILESc1ccc(COC[C@@H]2CC[C@@H](COCc3ccccc3)P2c2ccccc2P2[C@H](COCc3ccccc3)CC[C@H]2COCc2ccccc2)cc1
InChIInChI=1S/C46H52O4P2/c1-5-15-37(16-6-1)29-47-33-41-25-26-42(34-48-30-38-17-7-2-8-18-38)51(41)45-23-13-14-24-46(45)52-43(35-49-31-39-19-9-3-10-20-39)27-28-44(52)36-50-32-40-21-11-4-12-22-40/h1-24,41-44H,25-36H2/t41-,42-,43-,44-/m0/s1
InChIKeyMHTOWDUMJZFYTI-ITMZJIMRSA-N
XLogP9.83
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500730.87
LogP ≤ 59.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 57481680
(2R,5R)-1-benzyl-2,5-bis(phenylmethoxymethyl)pyrrolidine
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CID 66734377
CID 66734377

Frequently Asked Questions

What is the IUPAC name of (2S,5S)-1-[2-[(2S,5S)-2,5-bis(phenylmethoxymethyl)phospholan-1-yl]phenyl]-2,5-bis(phenylmethoxymethyl)phospholane?
The IUPAC name of (2S,5S)-1-[2-[(2S,5S)-2,5-bis(phenylmethoxymethyl)phospholan-1-yl]phenyl]-2,5-bis(phenylmethoxymethyl)phospholane (CID 59371896) is (2S,5S)-1-[2-[(2S,5S)-2,5-bis(phenylmethoxymethyl)phospholan-1-yl]phenyl]-2,5-bis(phenylmethoxymethyl)phospholane.
What is the SMILES notation for (2S,5S)-1-[2-[(2S,5S)-2,5-bis(phenylmethoxymethyl)phospholan-1-yl]phenyl]-2,5-bis(phenylmethoxymethyl)phospholane?
The canonical SMILES for (2S,5S)-1-[2-[(2S,5S)-2,5-bis(phenylmethoxymethyl)phospholan-1-yl]phenyl]-2,5-bis(phenylmethoxymethyl)phospholane is c1ccc(COC[C@@H]2CC[C@@H](COCc3ccccc3)P2c2ccccc2P2[C@H](COCc3ccccc3)CC[C@H]2COCc2ccccc2)cc1.
What is the InChIKey of (2S,5S)-1-[2-[(2S,5S)-2,5-bis(phenylmethoxymethyl)phospholan-1-yl]phenyl]-2,5-bis(phenylmethoxymethyl)phospholane?
The InChIKey is MHTOWDUMJZFYTI-ITMZJIMRSA-N. The full InChI is InChI=1S/C46H52O4P2/c1-5-15-37(16-6-1)29-47-33-41-25-26-42(34-48-30-38-17-7-2-8-18-38)51(41)45-23-13-14-24-46(45)52-43(35-49-31-39-19-9-3-10-20-39)27-28-44(52)36-50-32-40-21-11-4-12-22-40/h1-24,41-44H,25-36H2/t41-,42-,43-,44-/m0/s1.
What are the key properties of (2S,5S)-1-[2-[(2S,5S)-2,5-bis(phenylmethoxymethyl)phospholan-1-yl]phenyl]-2,5-bis(phenylmethoxymethyl)phospholane?
(2S,5S)-1-[2-[(2S,5S)-2,5-bis(phenylmethoxymethyl)phospholan-1-yl]phenyl]-2,5-bis(phenylmethoxymethyl)phospholane has a molecular weight of 730.87 g/mol, XLogP of 9.83, 18 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5S)-1-[2-[(2S,5S)-2,5-bis(phenylmethoxymethyl)phospholan-1-yl]phenyl]-2,5-bis(phenylmethoxymethyl)phospholane is sourced from PubChem (CID 59371896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).