(2R,5R)-1-[2-[(2R,5R)-2,5-bis(methoxymethyl)phospholan-1-yl]phenyl]-2,5-bis(methoxymethyl)phospholane

C22H36O4P2 — CID 10928053

IUPAC(2R,5R)-1-[2-[(2R,5R)-2,5-bis(methoxymethyl)phospholan-1-yl]phenyl]-2,5-bis(methoxymethyl)phospholane
SMILESCOC[C@H]1CC[C@H](COC)P1c1ccccc1P1[C@@H](COC)CC[C@@H]1COC
InChIInChI=1S/C22H36O4P2/c1-23-13-17-9-10-18(14-24-2)27(17)21-7-5-6-8-22(21)28-19(15-25-3)11-12-20(28)16-26-4/h5-8,17-20H,9-16H2,1-4H3/t17-,18-,19-,20-/m1/s1
InChIKeyQDIAAOCQOPMFNL-UAFMIMERSA-N
MW426.47 g/mol
LogP3.55
Rot. Bonds10

About (2R,5R)-1-[2-[(2R,5R)-2,5-bis(methoxymethyl)phospholan-1-yl]phenyl]-2,5-bis(methoxymethyl)phospholane

(2R,5R)-1-[2-[(2R,5R)-2,5-bis(methoxymethyl)phospholan-1-yl]phenyl]-2,5-bis(methoxymethyl)phospholane (PubChem CID 10928053) has the molecular formula C22H36O4P2 and a molecular weight of 426.47 g/mol. Its IUPAC name is (2R,5R)-1-[2-[(2R,5R)-2,5-bis(methoxymethyl)phospholan-1-yl]phenyl]-2,5-bis(methoxymethyl)phospholane.

Molecular Properties

Compound Name(2R,5R)-1-[2-[(2R,5R)-2,5-bis(methoxymethyl)phospholan-1-yl]phenyl]-2,5-bis(methoxymethyl)phospholane
PubChem CID10928053
Molecular FormulaC22H36O4P2
Molecular Weight426.47 g/mol
Exact Mass426.21
IUPAC Name(2R,5R)-1-[2-[(2R,5R)-2,5-bis(methoxymethyl)phospholan-1-yl]phenyl]-2,5-bis(methoxymethyl)phospholane
SMILESCOC[C@H]1CC[C@H](COC)P1c1ccccc1P1[C@@H](COC)CC[C@@H]1COC
InChIInChI=1S/C22H36O4P2/c1-23-13-17-9-10-18(14-24-2)27(17)21-7-5-6-8-22(21)28-19(15-25-3)11-12-20(28)16-26-4/h5-8,17-20H,9-16H2,1-4H3/t17-,18-,19-,20-/m1/s1
InChIKeyQDIAAOCQOPMFNL-UAFMIMERSA-N
XLogP3.55
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.47
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,5R)-1-[2-[(2R,5R)-2,5-bis(methoxymethyl)phospholan-1-yl]phenyl]-2,5-bis(methoxymethyl)phospholane?
The IUPAC name of (2R,5R)-1-[2-[(2R,5R)-2,5-bis(methoxymethyl)phospholan-1-yl]phenyl]-2,5-bis(methoxymethyl)phospholane (CID 10928053) is (2R,5R)-1-[2-[(2R,5R)-2,5-bis(methoxymethyl)phospholan-1-yl]phenyl]-2,5-bis(methoxymethyl)phospholane.
What is the SMILES notation for (2R,5R)-1-[2-[(2R,5R)-2,5-bis(methoxymethyl)phospholan-1-yl]phenyl]-2,5-bis(methoxymethyl)phospholane?
The canonical SMILES for (2R,5R)-1-[2-[(2R,5R)-2,5-bis(methoxymethyl)phospholan-1-yl]phenyl]-2,5-bis(methoxymethyl)phospholane is COC[C@H]1CC[C@H](COC)P1c1ccccc1P1[C@@H](COC)CC[C@@H]1COC.
What is the InChIKey of (2R,5R)-1-[2-[(2R,5R)-2,5-bis(methoxymethyl)phospholan-1-yl]phenyl]-2,5-bis(methoxymethyl)phospholane?
The InChIKey is QDIAAOCQOPMFNL-UAFMIMERSA-N. The full InChI is InChI=1S/C22H36O4P2/c1-23-13-17-9-10-18(14-24-2)27(17)21-7-5-6-8-22(21)28-19(15-25-3)11-12-20(28)16-26-4/h5-8,17-20H,9-16H2,1-4H3/t17-,18-,19-,20-/m1/s1.
What are the key properties of (2R,5R)-1-[2-[(2R,5R)-2,5-bis(methoxymethyl)phospholan-1-yl]phenyl]-2,5-bis(methoxymethyl)phospholane?
(2R,5R)-1-[2-[(2R,5R)-2,5-bis(methoxymethyl)phospholan-1-yl]phenyl]-2,5-bis(methoxymethyl)phospholane has a molecular weight of 426.47 g/mol, XLogP of 3.55, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-1-[2-[(2R,5R)-2,5-bis(methoxymethyl)phospholan-1-yl]phenyl]-2,5-bis(methoxymethyl)phospholane is sourced from PubChem (CID 10928053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).