(6-diphenoxyphosphanyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl) diphenyl phosphite

C30H28O8P2 — CID 138547878

IUPAC(6-diphenoxyphosphanyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl) diphenyl phosphite
SMILESc1ccc(OP(Oc2ccccc2)OC2COC3C(OP(Oc4ccccc4)Oc4ccccc4)COC23)cc1
InChIInChI=1S/C30H28O8P2/c1-5-13-23(14-6-1)33-39(34-24-15-7-2-8-16-24)37-27-21-31-30-28(22-32-29(27)30)38-40(35-25-17-9-3-10-18-25)36-26-19-11-4-12-20-26/h1-20,27-30H,21-22H2
InChIKeyCRYWHIWJUZUPGX-UHFFFAOYSA-N
MW578.49 g/mol
LogP7.32
Rot. Bonds12

About (6-diphenoxyphosphanyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl) diphenyl phosphite

(6-diphenoxyphosphanyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl) diphenyl phosphite (PubChem CID 138547878) has the molecular formula C30H28O8P2 and a molecular weight of 578.49 g/mol. Its IUPAC name is (6-diphenoxyphosphanyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl) diphenyl phosphite.

Molecular Properties

Compound Name(6-diphenoxyphosphanyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl) diphenyl phosphite
PubChem CID138547878
Molecular FormulaC30H28O8P2
Molecular Weight578.49 g/mol
Exact Mass578.13
IUPAC Name(6-diphenoxyphosphanyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl) diphenyl phosphite
SMILESc1ccc(OP(Oc2ccccc2)OC2COC3C(OP(Oc4ccccc4)Oc4ccccc4)COC23)cc1
InChIInChI=1S/C30H28O8P2/c1-5-13-23(14-6-1)33-39(34-24-15-7-2-8-16-24)37-27-21-31-30-28(22-32-29(27)30)38-40(35-25-17-9-3-10-18-25)36-26-19-11-4-12-20-26/h1-20,27-30H,21-22H2
InChIKeyCRYWHIWJUZUPGX-UHFFFAOYSA-N
XLogP7.32
TPSA73.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.49
LogP ≤ 57.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze (6-diphenoxyphosphanyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl) diphenyl phosphite 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 (6-diphenoxyphosphanyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl) diphenyl phosphite?
The IUPAC name of (6-diphenoxyphosphanyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl) diphenyl phosphite (CID 138547878) is (6-diphenoxyphosphanyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl) diphenyl phosphite.
What is the SMILES notation for (6-diphenoxyphosphanyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl) diphenyl phosphite?
The canonical SMILES for (6-diphenoxyphosphanyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl) diphenyl phosphite is c1ccc(OP(Oc2ccccc2)OC2COC3C(OP(Oc4ccccc4)Oc4ccccc4)COC23)cc1.
What is the InChIKey of (6-diphenoxyphosphanyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl) diphenyl phosphite?
The InChIKey is CRYWHIWJUZUPGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28O8P2/c1-5-13-23(14-6-1)33-39(34-24-15-7-2-8-16-24)37-27-21-31-30-28(22-32-29(27)30)38-40(35-25-17-9-3-10-18-25)36-26-19-11-4-12-20-26/h1-20,27-30H,21-22H2.
What are the key properties of (6-diphenoxyphosphanyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl) diphenyl phosphite?
(6-diphenoxyphosphanyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl) diphenyl phosphite has a molecular weight of 578.49 g/mol, XLogP of 7.32, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (6-diphenoxyphosphanyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl) diphenyl phosphite is sourced from PubChem (CID 138547878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).