(4S,4'aS,5S)-4,5-dibenzylspiro[1,3-dioxolane-2,3'-4,4a-dihydropyrano[4,3-b]chromene]-10'-one

C28H24O5 — CID 10343180

IUPAC(4S,4'aS,5S)-4,5-dibenzylspiro[1,3-dioxolane-2,3'-4,4a-dihydropyrano[4,3-b]chromene]-10'-one
SMILESO=C1C2=COC3(C[C@@H]2Oc2ccccc21)O[C@@H](Cc1ccccc1)[C@H](Cc1ccccc1)O3
InChIInChI=1S/C28H24O5/c29-27-21-13-7-8-14-23(21)31-26-17-28(30-18-22(26)27)32-24(15-19-9-3-1-4-10-19)25(33-28)16-20-11-5-2-6-12-20/h1-14,18,24-26H,15-17H2/t24-,25-,26-/m0/s1
InChIKeyRHFABTQKXCNJGY-GSDHBNRESA-N
MW440.50 g/mol
LogP4.86
Rot. Bonds4

About (4S,4'aS,5S)-4,5-dibenzylspiro[1,3-dioxolane-2,3'-4,4a-dihydropyrano[4,3-b]chromene]-10'-one

(4S,4'aS,5S)-4,5-dibenzylspiro[1,3-dioxolane-2,3'-4,4a-dihydropyrano[4,3-b]chromene]-10'-one (PubChem CID 10343180) has the molecular formula C28H24O5 and a molecular weight of 440.50 g/mol. Its IUPAC name is (4S,4'aS,5S)-4,5-dibenzylspiro[1,3-dioxolane-2,3'-4,4a-dihydropyrano[4,3-b]chromene]-10'-one.

Molecular Properties

Compound Name(4S,4'aS,5S)-4,5-dibenzylspiro[1,3-dioxolane-2,3'-4,4a-dihydropyrano[4,3-b]chromene]-10'-one
PubChem CID10343180
Molecular FormulaC28H24O5
Molecular Weight440.50 g/mol
Exact Mass440.16
IUPAC Name(4S,4'aS,5S)-4,5-dibenzylspiro[1,3-dioxolane-2,3'-4,4a-dihydropyrano[4,3-b]chromene]-10'-one
SMILESO=C1C2=COC3(C[C@@H]2Oc2ccccc21)O[C@@H](Cc1ccccc1)[C@H](Cc1ccccc1)O3
InChIInChI=1S/C28H24O5/c29-27-21-13-7-8-14-23(21)31-26-17-28(30-18-22(26)27)32-24(15-19-9-3-1-4-10-19)25(33-28)16-20-11-5-2-6-12-20/h1-14,18,24-26H,15-17H2/t24-,25-,26-/m0/s1
InChIKeyRHFABTQKXCNJGY-GSDHBNRESA-N
XLogP4.86
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (4S,4'aS,5S)-4,5-dibenzylspiro[1,3-dioxolane-2,3'-4,4a-dihydropyrano[4,3-b]chromene]-10'-one 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 (4S,4'aS,5S)-4,5-dibenzylspiro[1,3-dioxolane-2,3'-4,4a-dihydropyrano[4,3-b]chromene]-10'-one?
The IUPAC name of (4S,4'aS,5S)-4,5-dibenzylspiro[1,3-dioxolane-2,3'-4,4a-dihydropyrano[4,3-b]chromene]-10'-one (CID 10343180) is (4S,4'aS,5S)-4,5-dibenzylspiro[1,3-dioxolane-2,3'-4,4a-dihydropyrano[4,3-b]chromene]-10'-one.
What is the SMILES notation for (4S,4'aS,5S)-4,5-dibenzylspiro[1,3-dioxolane-2,3'-4,4a-dihydropyrano[4,3-b]chromene]-10'-one?
The canonical SMILES for (4S,4'aS,5S)-4,5-dibenzylspiro[1,3-dioxolane-2,3'-4,4a-dihydropyrano[4,3-b]chromene]-10'-one is O=C1C2=COC3(C[C@@H]2Oc2ccccc21)O[C@@H](Cc1ccccc1)[C@H](Cc1ccccc1)O3.
What is the InChIKey of (4S,4'aS,5S)-4,5-dibenzylspiro[1,3-dioxolane-2,3'-4,4a-dihydropyrano[4,3-b]chromene]-10'-one?
The InChIKey is RHFABTQKXCNJGY-GSDHBNRESA-N. The full InChI is InChI=1S/C28H24O5/c29-27-21-13-7-8-14-23(21)31-26-17-28(30-18-22(26)27)32-24(15-19-9-3-1-4-10-19)25(33-28)16-20-11-5-2-6-12-20/h1-14,18,24-26H,15-17H2/t24-,25-,26-/m0/s1.
What are the key properties of (4S,4'aS,5S)-4,5-dibenzylspiro[1,3-dioxolane-2,3'-4,4a-dihydropyrano[4,3-b]chromene]-10'-one?
(4S,4'aS,5S)-4,5-dibenzylspiro[1,3-dioxolane-2,3'-4,4a-dihydropyrano[4,3-b]chromene]-10'-one has a molecular weight of 440.50 g/mol, XLogP of 4.86, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,4'aS,5S)-4,5-dibenzylspiro[1,3-dioxolane-2,3'-4,4a-dihydropyrano[4,3-b]chromene]-10'-one is sourced from PubChem (CID 10343180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).