CID 102179497

C25H32O7 — CID 102179497

IUPAC—
SMILESOc1cccc2c1CO[C@]21[C@@H]([C@H]2COC3(CCCCC3)O2)O[C@@H]2OC3(CCCCC3)O[C@@H]21
InChIInChI=1S/C25H32O7/c26-18-9-7-8-17-16(18)14-28-25(17)20(19-15-27-23(30-19)10-3-1-4-11-23)29-22-21(25)31-24(32-22)12-5-2-6-13-24/h7-9,19-22,26H,1-6,10-15H2/t19-,20-,21+,22-,25+/m1/s1
InChIKeyFGQHONWPZJRGLO-ILJOYBHNSA-N
MW444.52 g/mol
LogP3.99
Rot. Bonds1

About CID 102179497

CID 102179497 (PubChem CID 102179497) has the molecular formula C25H32O7 and a molecular weight of 444.52 g/mol.

Molecular Properties

Compound NameCID 102179497
PubChem CID102179497
Molecular FormulaC25H32O7
Molecular Weight444.52 g/mol
Exact Mass444.21
IUPAC Name—
SMILESOc1cccc2c1CO[C@]21[C@@H]([C@H]2COC3(CCCCC3)O2)O[C@@H]2OC3(CCCCC3)O[C@@H]21
InChIInChI=1S/C25H32O7/c26-18-9-7-8-17-16(18)14-28-25(17)20(19-15-27-23(30-19)10-3-1-4-11-23)29-22-21(25)31-24(32-22)12-5-2-6-13-24/h7-9,19-22,26H,1-6,10-15H2/t19-,20-,21+,22-,25+/m1/s1
InChIKeyFGQHONWPZJRGLO-ILJOYBHNSA-N
XLogP3.99
TPSA75.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.52
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of CID 102179497?
The IUPAC name of CID 102179497 (CID 102179497) is not available.
What is the SMILES notation for CID 102179497?
The canonical SMILES for CID 102179497 is Oc1cccc2c1CO[C@]21[C@@H]([C@H]2COC3(CCCCC3)O2)O[C@@H]2OC3(CCCCC3)O[C@@H]21.
What is the InChIKey of CID 102179497?
The InChIKey is FGQHONWPZJRGLO-ILJOYBHNSA-N. The full InChI is InChI=1S/C25H32O7/c26-18-9-7-8-17-16(18)14-28-25(17)20(19-15-27-23(30-19)10-3-1-4-11-23)29-22-21(25)31-24(32-22)12-5-2-6-13-24/h7-9,19-22,26H,1-6,10-15H2/t19-,20-,21+,22-,25+/m1/s1.
What are the key properties of CID 102179497?
CID 102179497 has a molecular weight of 444.52 g/mol, XLogP of 3.99, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for CID 102179497 is sourced from PubChem (CID 102179497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).