CID 23231318

C26H32O8 — CID 23231318

IUPAC—
SMILESCCCC12C3C(=O)C4(OC(=O)C(C)(C)O4)C4C5C3C1(CCC)C(C(=O)C51OC(=O)C(C)(C)O1)C42
InChIInChI=1S/C26H32O8/c1-7-9-23-11-13-14-12(15(23)17(27)25(13)31-19(29)21(3,4)33-25)24(23,10-8-2)16(11)18(28)26(14)32-20(30)22(5,6)34-26/h11-16H,7-10H2,1-6H3
InChIKeyHRIFMSNTEZCOLD-UHFFFAOYSA-N
MW472.53 g/mol
LogP2.56
Rot. Bonds4

About CID 23231318

CID 23231318 (PubChem CID 23231318) has the molecular formula C26H32O8 and a molecular weight of 472.53 g/mol.

Molecular Properties

Compound NameCID 23231318
PubChem CID23231318
Molecular FormulaC26H32O8
Molecular Weight472.53 g/mol
Exact Mass472.21
IUPAC Name—
SMILESCCCC12C3C(=O)C4(OC(=O)C(C)(C)O4)C4C5C3C1(CCC)C(C(=O)C51OC(=O)C(C)(C)O1)C42
InChIInChI=1S/C26H32O8/c1-7-9-23-11-13-14-12(15(23)17(27)25(13)31-19(29)21(3,4)33-25)24(23,10-8-2)16(11)18(28)26(14)32-20(30)22(5,6)34-26/h11-16H,7-10H2,1-6H3
InChIKeyHRIFMSNTEZCOLD-UHFFFAOYSA-N
XLogP2.56
TPSA105.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.53
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of CID 23231318?
The IUPAC name of CID 23231318 (CID 23231318) is not available.
What is the SMILES notation for CID 23231318?
The canonical SMILES for CID 23231318 is CCCC12C3C(=O)C4(OC(=O)C(C)(C)O4)C4C5C3C1(CCC)C(C(=O)C51OC(=O)C(C)(C)O1)C42.
What is the InChIKey of CID 23231318?
The InChIKey is HRIFMSNTEZCOLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32O8/c1-7-9-23-11-13-14-12(15(23)17(27)25(13)31-19(29)21(3,4)33-25)24(23,10-8-2)16(11)18(28)26(14)32-20(30)22(5,6)34-26/h11-16H,7-10H2,1-6H3.
What are the key properties of CID 23231318?
CID 23231318 has a molecular weight of 472.53 g/mol, XLogP of 2.56, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for CID 23231318 is sourced from PubChem (CID 23231318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).