(10R,13R,14S)-13-hydroxy-10,14-diphenyl-7,16-dioxadispiro[5.2.59.26]hexadecane-8,12,15-trione

C26H26O6 — CID 102573459

IUPAC(10R,13R,14S)-13-hydroxy-10,14-diphenyl-7,16-dioxadispiro[5.2.59.26]hexadecane-8,12,15-trione
SMILESO=C1C[C@H](c2ccccc2)C2(C(=O)OC3(CCCCC3)OC2=O)[C@H](c2ccccc2)[C@H]1O
InChIInChI=1S/C26H26O6/c27-20-16-19(17-10-4-1-5-11-17)26(21(22(20)28)18-12-6-2-7-13-18)23(29)31-25(32-24(26)30)14-8-3-9-15-25/h1-2,4-7,10-13,19,21-22,28H,3,8-9,14-16H2/t19-,21-,22+/m1/s1
InChIKeyOEEWCNFSSKGUEW-FCEUIQTBSA-N
MW434.49 g/mol
LogP3.63
Rot. Bonds2

About (10R,13R,14S)-13-hydroxy-10,14-diphenyl-7,16-dioxadispiro[5.2.59.26]hexadecane-8,12,15-trione

(10R,13R,14S)-13-hydroxy-10,14-diphenyl-7,16-dioxadispiro[5.2.59.26]hexadecane-8,12,15-trione (PubChem CID 102573459) has the molecular formula C26H26O6 and a molecular weight of 434.49 g/mol. Its IUPAC name is (10R,13R,14S)-13-hydroxy-10,14-diphenyl-7,16-dioxadispiro[5.2.59.26]hexadecane-8,12,15-trione.

Molecular Properties

Compound Name(10R,13R,14S)-13-hydroxy-10,14-diphenyl-7,16-dioxadispiro[5.2.59.26]hexadecane-8,12,15-trione
PubChem CID102573459
Molecular FormulaC26H26O6
Molecular Weight434.49 g/mol
Exact Mass434.17
IUPAC Name(10R,13R,14S)-13-hydroxy-10,14-diphenyl-7,16-dioxadispiro[5.2.59.26]hexadecane-8,12,15-trione
SMILESO=C1C[C@H](c2ccccc2)C2(C(=O)OC3(CCCCC3)OC2=O)[C@H](c2ccccc2)[C@H]1O
InChIInChI=1S/C26H26O6/c27-20-16-19(17-10-4-1-5-11-17)26(21(22(20)28)18-12-6-2-7-13-18)23(29)31-25(32-24(26)30)14-8-3-9-15-25/h1-2,4-7,10-13,19,21-22,28H,3,8-9,14-16H2/t19-,21-,22+/m1/s1
InChIKeyOEEWCNFSSKGUEW-FCEUIQTBSA-N
XLogP3.63
TPSA89.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.49
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (10R,13R,14S)-13-hydroxy-10,14-diphenyl-7,16-dioxadispiro[5.2.59.26]hexadecane-8,12,15-trione?
The IUPAC name of (10R,13R,14S)-13-hydroxy-10,14-diphenyl-7,16-dioxadispiro[5.2.59.26]hexadecane-8,12,15-trione (CID 102573459) is (10R,13R,14S)-13-hydroxy-10,14-diphenyl-7,16-dioxadispiro[5.2.59.26]hexadecane-8,12,15-trione.
What is the SMILES notation for (10R,13R,14S)-13-hydroxy-10,14-diphenyl-7,16-dioxadispiro[5.2.59.26]hexadecane-8,12,15-trione?
The canonical SMILES for (10R,13R,14S)-13-hydroxy-10,14-diphenyl-7,16-dioxadispiro[5.2.59.26]hexadecane-8,12,15-trione is O=C1C[C@H](c2ccccc2)C2(C(=O)OC3(CCCCC3)OC2=O)[C@H](c2ccccc2)[C@H]1O.
What is the InChIKey of (10R,13R,14S)-13-hydroxy-10,14-diphenyl-7,16-dioxadispiro[5.2.59.26]hexadecane-8,12,15-trione?
The InChIKey is OEEWCNFSSKGUEW-FCEUIQTBSA-N. The full InChI is InChI=1S/C26H26O6/c27-20-16-19(17-10-4-1-5-11-17)26(21(22(20)28)18-12-6-2-7-13-18)23(29)31-25(32-24(26)30)14-8-3-9-15-25/h1-2,4-7,10-13,19,21-22,28H,3,8-9,14-16H2/t19-,21-,22+/m1/s1.
What are the key properties of (10R,13R,14S)-13-hydroxy-10,14-diphenyl-7,16-dioxadispiro[5.2.59.26]hexadecane-8,12,15-trione?
(10R,13R,14S)-13-hydroxy-10,14-diphenyl-7,16-dioxadispiro[5.2.59.26]hexadecane-8,12,15-trione has a molecular weight of 434.49 g/mol, XLogP of 3.63, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (10R,13R,14S)-13-hydroxy-10,14-diphenyl-7,16-dioxadispiro[5.2.59.26]hexadecane-8,12,15-trione is sourced from PubChem (CID 102573459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).