CID 131971253

C24H24O6 — CID 131971253

IUPAC—
SMILESOC1[C@H]2OC3(Cc4ccccc4C3)O[C@H]2C(O)[C@@H]2OC3(Cc4ccccc4C3)O[C@@H]12
InChIInChI=1S/C24H24O6/c25-17-19-20(28-23(27-19)9-13-5-1-2-6-14(13)10-23)18(26)22-21(17)29-24(30-22)11-15-7-3-4-8-16(15)12-24/h1-8,17-22,25-26H,9-12H2/t17?,18?,19-,20-,21-,22+/m0/s1
InChIKeyPGFCYHYCFYQTLZ-KWVZWOLDSA-N
MW408.45 g/mol
LogP1.28
Rot. Bonds

About CID 131971253

CID 131971253 (PubChem CID 131971253) has the molecular formula C24H24O6 and a molecular weight of 408.45 g/mol.

Molecular Properties

Compound NameCID 131971253
PubChem CID131971253
Molecular FormulaC24H24O6
Molecular Weight408.45 g/mol
Exact Mass408.16
IUPAC Name—
SMILESOC1[C@H]2OC3(Cc4ccccc4C3)O[C@H]2C(O)[C@@H]2OC3(Cc4ccccc4C3)O[C@@H]12
InChIInChI=1S/C24H24O6/c25-17-19-20(28-23(27-19)9-13-5-1-2-6-14(13)10-23)18(26)22-21(17)29-24(30-22)11-15-7-3-4-8-16(15)12-24/h1-8,17-22,25-26H,9-12H2/t17?,18?,19-,20-,21-,22+/m0/s1
InChIKeyPGFCYHYCFYQTLZ-KWVZWOLDSA-N
XLogP1.28
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.45
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of CID 131971253?
The IUPAC name of CID 131971253 (CID 131971253) is not available.
What is the SMILES notation for CID 131971253?
The canonical SMILES for CID 131971253 is OC1[C@H]2OC3(Cc4ccccc4C3)O[C@H]2C(O)[C@@H]2OC3(Cc4ccccc4C3)O[C@@H]12.
What is the InChIKey of CID 131971253?
The InChIKey is PGFCYHYCFYQTLZ-KWVZWOLDSA-N. The full InChI is InChI=1S/C24H24O6/c25-17-19-20(28-23(27-19)9-13-5-1-2-6-14(13)10-23)18(26)22-21(17)29-24(30-22)11-15-7-3-4-8-16(15)12-24/h1-8,17-22,25-26H,9-12H2/t17?,18?,19-,20-,21-,22+/m0/s1.
What are the key properties of CID 131971253?
CID 131971253 has a molecular weight of 408.45 g/mol, XLogP of 1.28, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 131971253 is sourced from PubChem (CID 131971253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).