CID 59735666

C26H48NO5S — CID 59735666

IUPAC—
SMILESCCCCC(CC)COC(=O)CC(CC(=O)OCC(CC)CCCC)SC[CH]C(=O)N(C)C
InChIInChI=1S/C26H48NO5S/c1-7-11-13-21(9-3)19-31-25(29)17-23(33-16-15-24(28)27(5)6)18-26(30)32-20-22(10-4)14-12-8-2/h15,21-23H,7-14,16-20H2,1-6H3
InChIKeyHHMMWUYEMPGZQR-UHFFFAOYSA-N
MW486.74 g/mol
LogP5.68
Rot. Bonds20

About CID 59735666

CID 59735666 (PubChem CID 59735666) has the molecular formula C26H48NO5S and a molecular weight of 486.74 g/mol.

Molecular Properties

Compound NameCID 59735666
PubChem CID59735666
Molecular FormulaC26H48NO5S
Molecular Weight486.74 g/mol
Exact Mass486.33
IUPAC Name—
SMILESCCCCC(CC)COC(=O)CC(CC(=O)OCC(CC)CCCC)SC[CH]C(=O)N(C)C
InChIInChI=1S/C26H48NO5S/c1-7-11-13-21(9-3)19-31-25(29)17-23(33-16-15-24(28)27(5)6)18-26(30)32-20-22(10-4)14-12-8-2/h15,21-23H,7-14,16-20H2,1-6H3
InChIKeyHHMMWUYEMPGZQR-UHFFFAOYSA-N
XLogP5.68
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds20
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.74
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of CID 59735666?
The IUPAC name of CID 59735666 (CID 59735666) is not available.
What is the SMILES notation for CID 59735666?
The canonical SMILES for CID 59735666 is CCCCC(CC)COC(=O)CC(CC(=O)OCC(CC)CCCC)SC[CH]C(=O)N(C)C.
What is the InChIKey of CID 59735666?
The InChIKey is HHMMWUYEMPGZQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H48NO5S/c1-7-11-13-21(9-3)19-31-25(29)17-23(33-16-15-24(28)27(5)6)18-26(30)32-20-22(10-4)14-12-8-2/h15,21-23H,7-14,16-20H2,1-6H3.
What are the key properties of CID 59735666?
CID 59735666 has a molecular weight of 486.74 g/mol, XLogP of 5.68, 20 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59735666 is sourced from PubChem (CID 59735666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).