(4R,5R)-4,5-bis(diphenylphosphorylmethyl)-2,2-dimethyl-1,3-dioxolane

C31H32O4P2 — CID 13328811

IUPAC(4R,5R)-4,5-bis(diphenylphosphorylmethyl)-2,2-dimethyl-1,3-dioxolane
SMILESCC1(C)O[C@@H](CP(=O)(c2ccccc2)c2ccccc2)[C@H](CP(=O)(c2ccccc2)c2ccccc2)O1
InChIInChI=1S/C31H32O4P2/c1-31(2)34-29(23-36(32,25-15-7-3-8-16-25)26-17-9-4-10-18-26)30(35-31)24-37(33,27-19-11-5-12-20-27)28-21-13-6-14-22-28/h3-22,29-30H,23-24H2,1-2H3/t29-,30-/m0/s1
InChIKeyKZUJPJPWSHHJRQ-KYJUHHDHSA-N
MW530.54 g/mol
LogP5.53
Rot. Bonds8

About (4R,5R)-4,5-bis(diphenylphosphorylmethyl)-2,2-dimethyl-1,3-dioxolane

(4R,5R)-4,5-bis(diphenylphosphorylmethyl)-2,2-dimethyl-1,3-dioxolane (PubChem CID 13328811) has the molecular formula C31H32O4P2 and a molecular weight of 530.54 g/mol. Its IUPAC name is (4R,5R)-4,5-bis(diphenylphosphorylmethyl)-2,2-dimethyl-1,3-dioxolane.

Molecular Properties

Compound Name(4R,5R)-4,5-bis(diphenylphosphorylmethyl)-2,2-dimethyl-1,3-dioxolane
PubChem CID13328811
Molecular FormulaC31H32O4P2
Molecular Weight530.54 g/mol
Exact Mass530.18
IUPAC Name(4R,5R)-4,5-bis(diphenylphosphorylmethyl)-2,2-dimethyl-1,3-dioxolane
SMILESCC1(C)O[C@@H](CP(=O)(c2ccccc2)c2ccccc2)[C@H](CP(=O)(c2ccccc2)c2ccccc2)O1
InChIInChI=1S/C31H32O4P2/c1-31(2)34-29(23-36(32,25-15-7-3-8-16-25)26-17-9-4-10-18-26)30(35-31)24-37(33,27-19-11-5-12-20-27)28-21-13-6-14-22-28/h3-22,29-30H,23-24H2,1-2H3/t29-,30-/m0/s1
InChIKeyKZUJPJPWSHHJRQ-KYJUHHDHSA-N
XLogP5.53
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.54
LogP ≤ 55.53
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 (4R,5R)-4,5-bis(diphenylphosphorylmethyl)-2,2-dimethyl-1,3-dioxolane?
The IUPAC name of (4R,5R)-4,5-bis(diphenylphosphorylmethyl)-2,2-dimethyl-1,3-dioxolane (CID 13328811) is (4R,5R)-4,5-bis(diphenylphosphorylmethyl)-2,2-dimethyl-1,3-dioxolane.
What is the SMILES notation for (4R,5R)-4,5-bis(diphenylphosphorylmethyl)-2,2-dimethyl-1,3-dioxolane?
The canonical SMILES for (4R,5R)-4,5-bis(diphenylphosphorylmethyl)-2,2-dimethyl-1,3-dioxolane is CC1(C)O[C@@H](CP(=O)(c2ccccc2)c2ccccc2)[C@H](CP(=O)(c2ccccc2)c2ccccc2)O1.
What is the InChIKey of (4R,5R)-4,5-bis(diphenylphosphorylmethyl)-2,2-dimethyl-1,3-dioxolane?
The InChIKey is KZUJPJPWSHHJRQ-KYJUHHDHSA-N. The full InChI is InChI=1S/C31H32O4P2/c1-31(2)34-29(23-36(32,25-15-7-3-8-16-25)26-17-9-4-10-18-26)30(35-31)24-37(33,27-19-11-5-12-20-27)28-21-13-6-14-22-28/h3-22,29-30H,23-24H2,1-2H3/t29-,30-/m0/s1.
What are the key properties of (4R,5R)-4,5-bis(diphenylphosphorylmethyl)-2,2-dimethyl-1,3-dioxolane?
(4R,5R)-4,5-bis(diphenylphosphorylmethyl)-2,2-dimethyl-1,3-dioxolane has a molecular weight of 530.54 g/mol, XLogP of 5.53, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-4,5-bis(diphenylphosphorylmethyl)-2,2-dimethyl-1,3-dioxolane is sourced from PubChem (CID 13328811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).