(3R,4S,5R,6S,7S,9R,11R,12S,13R,14R)-14-(2-fluoroethyl)-4,6,12-trihydroxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione

C21H37FO6 — CID 10092637

IUPAC(3R,4S,5R,6S,7S,9R,11R,12S,13R,14R)-14-(2-fluoroethyl)-4,6,12-trihydroxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione
SMILESC[C@@H]1[C@@H](O)[C@@H](C)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@@H](C)[C@@H](CCF)OC(=O)[C@H](C)[C@H]1O
InChIInChI=1S/C21H37FO6/c1-10-9-11(2)18(24)14(5)20(26)15(6)21(27)28-16(7-8-22)12(3)19(25)13(4)17(10)23/h10-16,18-20,24-26H,7-9H2,1-6H3/t10-,11+,12+,13+,14-,15-,16-,18+,19+,20+/m1/s1
InChIKeyINVHEJWSSHMGJL-IBBGRPSASA-N
MW404.52 g/mol
LogP2.13
Rot. Bonds2

About (3R,4S,5R,6S,7S,9R,11R,12S,13R,14R)-14-(2-fluoroethyl)-4,6,12-trihydroxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione

(3R,4S,5R,6S,7S,9R,11R,12S,13R,14R)-14-(2-fluoroethyl)-4,6,12-trihydroxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione (PubChem CID 10092637) has the molecular formula C21H37FO6 and a molecular weight of 404.52 g/mol. Its IUPAC name is (3R,4S,5R,6S,7S,9R,11R,12S,13R,14R)-14-(2-fluoroethyl)-4,6,12-trihydroxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione.

Molecular Properties

Compound Name(3R,4S,5R,6S,7S,9R,11R,12S,13R,14R)-14-(2-fluoroethyl)-4,6,12-trihydroxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione
PubChem CID10092637
Molecular FormulaC21H37FO6
Molecular Weight404.52 g/mol
Exact Mass404.26
IUPAC Name(3R,4S,5R,6S,7S,9R,11R,12S,13R,14R)-14-(2-fluoroethyl)-4,6,12-trihydroxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione
SMILESC[C@@H]1[C@@H](O)[C@@H](C)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@@H](C)[C@@H](CCF)OC(=O)[C@H](C)[C@H]1O
InChIInChI=1S/C21H37FO6/c1-10-9-11(2)18(24)14(5)20(26)15(6)21(27)28-16(7-8-22)12(3)19(25)13(4)17(10)23/h10-16,18-20,24-26H,7-9H2,1-6H3/t10-,11+,12+,13+,14-,15-,16-,18+,19+,20+/m1/s1
InChIKeyINVHEJWSSHMGJL-IBBGRPSASA-N
XLogP2.13
TPSA104.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.52
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (3R,4S,5R,6S,7S,9R,11R,12S,13R,14R)-14-(2-fluoroethyl)-4,6,12-trihydroxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R,4S,5R,6S,7S,9R,11R,12S,13R,14R)-14-(2-fluoroethyl)-4,6,12-trihydroxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione?
The IUPAC name of (3R,4S,5R,6S,7S,9R,11R,12S,13R,14R)-14-(2-fluoroethyl)-4,6,12-trihydroxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione (CID 10092637) is (3R,4S,5R,6S,7S,9R,11R,12S,13R,14R)-14-(2-fluoroethyl)-4,6,12-trihydroxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione.
What is the SMILES notation for (3R,4S,5R,6S,7S,9R,11R,12S,13R,14R)-14-(2-fluoroethyl)-4,6,12-trihydroxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione?
The canonical SMILES for (3R,4S,5R,6S,7S,9R,11R,12S,13R,14R)-14-(2-fluoroethyl)-4,6,12-trihydroxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione is C[C@@H]1[C@@H](O)[C@@H](C)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@@H](C)[C@@H](CCF)OC(=O)[C@H](C)[C@H]1O.
What is the InChIKey of (3R,4S,5R,6S,7S,9R,11R,12S,13R,14R)-14-(2-fluoroethyl)-4,6,12-trihydroxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione?
The InChIKey is INVHEJWSSHMGJL-IBBGRPSASA-N. The full InChI is InChI=1S/C21H37FO6/c1-10-9-11(2)18(24)14(5)20(26)15(6)21(27)28-16(7-8-22)12(3)19(25)13(4)17(10)23/h10-16,18-20,24-26H,7-9H2,1-6H3/t10-,11+,12+,13+,14-,15-,16-,18+,19+,20+/m1/s1.
What are the key properties of (3R,4S,5R,6S,7S,9R,11R,12S,13R,14R)-14-(2-fluoroethyl)-4,6,12-trihydroxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione?
(3R,4S,5R,6S,7S,9R,11R,12S,13R,14R)-14-(2-fluoroethyl)-4,6,12-trihydroxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione has a molecular weight of 404.52 g/mol, XLogP of 2.13, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,5R,6S,7S,9R,11R,12S,13R,14R)-14-(2-fluoroethyl)-4,6,12-trihydroxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione is sourced from PubChem (CID 10092637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).