[(3S,3aS,6S,6aS)-6-diphenylphosphanyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-diphenylphosphane

C30H28O2P2 — CID 11134626

IUPAC[(3S,3aS,6S,6aS)-6-diphenylphosphanyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-diphenylphosphane
SMILESc1ccc(P(c2ccccc2)[C@H]2CO[C@H]3[C@@H]2OC[C@@H]3P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C30H28O2P2/c1-5-13-23(14-6-1)33(24-15-7-2-8-16-24)27-21-31-30-28(22-32-29(27)30)34(25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-20,27-30H,21-22H2/t27-,28-,29+,30+/m0/s1
InChIKeyCAQFAZUOBNAEFR-VZNYXHRGSA-N
MW482.50 g/mol
LogP4.79
Rot. Bonds6

About [(3S,3aS,6S,6aS)-6-diphenylphosphanyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-diphenylphosphane

[(3S,3aS,6S,6aS)-6-diphenylphosphanyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-diphenylphosphane (PubChem CID 11134626) has the molecular formula C30H28O2P2 and a molecular weight of 482.50 g/mol. Its IUPAC name is [(3S,3aS,6S,6aS)-6-diphenylphosphanyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-diphenylphosphane.

Molecular Properties

Compound Name[(3S,3aS,6S,6aS)-6-diphenylphosphanyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-diphenylphosphane
PubChem CID11134626
Molecular FormulaC30H28O2P2
Molecular Weight482.50 g/mol
Exact Mass482.16
IUPAC Name[(3S,3aS,6S,6aS)-6-diphenylphosphanyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-diphenylphosphane
SMILESc1ccc(P(c2ccccc2)[C@H]2CO[C@H]3[C@@H]2OC[C@@H]3P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C30H28O2P2/c1-5-13-23(14-6-1)33(24-15-7-2-8-16-24)27-21-31-30-28(22-32-29(27)30)34(25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-20,27-30H,21-22H2/t27-,28-,29+,30+/m0/s1
InChIKeyCAQFAZUOBNAEFR-VZNYXHRGSA-N
XLogP4.79
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.50
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [(3S,3aS,6S,6aS)-6-diphenylphosphanyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-diphenylphosphane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(3S,3aS,6S,6aS)-6-diphenylphosphanyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-diphenylphosphane?
The IUPAC name of [(3S,3aS,6S,6aS)-6-diphenylphosphanyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-diphenylphosphane (CID 11134626) is [(3S,3aS,6S,6aS)-6-diphenylphosphanyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-diphenylphosphane.
What is the SMILES notation for [(3S,3aS,6S,6aS)-6-diphenylphosphanyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-diphenylphosphane?
The canonical SMILES for [(3S,3aS,6S,6aS)-6-diphenylphosphanyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-diphenylphosphane is c1ccc(P(c2ccccc2)[C@H]2CO[C@H]3[C@@H]2OC[C@@H]3P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of [(3S,3aS,6S,6aS)-6-diphenylphosphanyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-diphenylphosphane?
The InChIKey is CAQFAZUOBNAEFR-VZNYXHRGSA-N. The full InChI is InChI=1S/C30H28O2P2/c1-5-13-23(14-6-1)33(24-15-7-2-8-16-24)27-21-31-30-28(22-32-29(27)30)34(25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-20,27-30H,21-22H2/t27-,28-,29+,30+/m0/s1.
What are the key properties of [(3S,3aS,6S,6aS)-6-diphenylphosphanyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-diphenylphosphane?
[(3S,3aS,6S,6aS)-6-diphenylphosphanyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-diphenylphosphane has a molecular weight of 482.50 g/mol, XLogP of 4.79, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,3aS,6S,6aS)-6-diphenylphosphanyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-diphenylphosphane is sourced from PubChem (CID 11134626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).