(4S,7E,9R,10S,13E,15R,16S)-9,15-dihydroxy-4,10,16-trimethyl-11-(2-phenylethyl)-1,5-dioxa-11-azacyclohexadeca-7,13-diene-2,6,12-trione

C24H31NO7 — CID 54763705

IUPAC(4S,7E,9R,10S,13E,15R,16S)-9,15-dihydroxy-4,10,16-trimethyl-11-(2-phenylethyl)-1,5-dioxa-11-azacyclohexadeca-7,13-diene-2,6,12-trione
SMILESC[C@@H]1OC(=O)C[C@H](C)OC(=O)/C=C/[C@@H](O)[C@H](C)N(CCc2ccccc2)C(=O)/C=C/[C@H]1O
InChIInChI=1S/C24H31NO7/c1-16-15-24(30)32-18(3)21(27)9-11-22(28)25(14-13-19-7-5-4-6-8-19)17(2)20(26)10-12-23(29)31-16/h4-12,16-18,20-21,26-27H,13-15H2,1-3H3/b11-9+,12-10+/t16-,17-,18-,20+,21+/m0/s1
InChIKeyRMLDYJVNEALILH-PNEGFCAMSA-N
MW445.51 g/mol
LogP1.55
Rot. Bonds3

About (4S,7E,9R,10S,13E,15R,16S)-9,15-dihydroxy-4,10,16-trimethyl-11-(2-phenylethyl)-1,5-dioxa-11-azacyclohexadeca-7,13-diene-2,6,12-trione

(4S,7E,9R,10S,13E,15R,16S)-9,15-dihydroxy-4,10,16-trimethyl-11-(2-phenylethyl)-1,5-dioxa-11-azacyclohexadeca-7,13-diene-2,6,12-trione (PubChem CID 54763705) has the molecular formula C24H31NO7 and a molecular weight of 445.51 g/mol. Its IUPAC name is (4S,7E,9R,10S,13E,15R,16S)-9,15-dihydroxy-4,10,16-trimethyl-11-(2-phenylethyl)-1,5-dioxa-11-azacyclohexadeca-7,13-diene-2,6,12-trione.

Molecular Properties

Compound Name(4S,7E,9R,10S,13E,15R,16S)-9,15-dihydroxy-4,10,16-trimethyl-11-(2-phenylethyl)-1,5-dioxa-11-azacyclohexadeca-7,13-diene-2,6,12-trione
PubChem CID54763705
Molecular FormulaC24H31NO7
Molecular Weight445.51 g/mol
Exact Mass445.21
IUPAC Name(4S,7E,9R,10S,13E,15R,16S)-9,15-dihydroxy-4,10,16-trimethyl-11-(2-phenylethyl)-1,5-dioxa-11-azacyclohexadeca-7,13-diene-2,6,12-trione
SMILESC[C@@H]1OC(=O)C[C@H](C)OC(=O)/C=C/[C@@H](O)[C@H](C)N(CCc2ccccc2)C(=O)/C=C/[C@H]1O
InChIInChI=1S/C24H31NO7/c1-16-15-24(30)32-18(3)21(27)9-11-22(28)25(14-13-19-7-5-4-6-8-19)17(2)20(26)10-12-23(29)31-16/h4-12,16-18,20-21,26-27H,13-15H2,1-3H3/b11-9+,12-10+/t16-,17-,18-,20+,21+/m0/s1
InChIKeyRMLDYJVNEALILH-PNEGFCAMSA-N
XLogP1.55
TPSA113.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.51
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (4S,7E,9R,10S,13E,15R,16S)-9,15-dihydroxy-4,10,16-trimethyl-11-(2-phenylethyl)-1,5-dioxa-11-azacyclohexadeca-7,13-diene-2,6,12-trione 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 (4S,7E,9R,10S,13E,15R,16S)-9,15-dihydroxy-4,10,16-trimethyl-11-(2-phenylethyl)-1,5-dioxa-11-azacyclohexadeca-7,13-diene-2,6,12-trione?
The IUPAC name of (4S,7E,9R,10S,13E,15R,16S)-9,15-dihydroxy-4,10,16-trimethyl-11-(2-phenylethyl)-1,5-dioxa-11-azacyclohexadeca-7,13-diene-2,6,12-trione (CID 54763705) is (4S,7E,9R,10S,13E,15R,16S)-9,15-dihydroxy-4,10,16-trimethyl-11-(2-phenylethyl)-1,5-dioxa-11-azacyclohexadeca-7,13-diene-2,6,12-trione.
What is the SMILES notation for (4S,7E,9R,10S,13E,15R,16S)-9,15-dihydroxy-4,10,16-trimethyl-11-(2-phenylethyl)-1,5-dioxa-11-azacyclohexadeca-7,13-diene-2,6,12-trione?
The canonical SMILES for (4S,7E,9R,10S,13E,15R,16S)-9,15-dihydroxy-4,10,16-trimethyl-11-(2-phenylethyl)-1,5-dioxa-11-azacyclohexadeca-7,13-diene-2,6,12-trione is C[C@@H]1OC(=O)C[C@H](C)OC(=O)/C=C/[C@@H](O)[C@H](C)N(CCc2ccccc2)C(=O)/C=C/[C@H]1O.
What is the InChIKey of (4S,7E,9R,10S,13E,15R,16S)-9,15-dihydroxy-4,10,16-trimethyl-11-(2-phenylethyl)-1,5-dioxa-11-azacyclohexadeca-7,13-diene-2,6,12-trione?
The InChIKey is RMLDYJVNEALILH-PNEGFCAMSA-N. The full InChI is InChI=1S/C24H31NO7/c1-16-15-24(30)32-18(3)21(27)9-11-22(28)25(14-13-19-7-5-4-6-8-19)17(2)20(26)10-12-23(29)31-16/h4-12,16-18,20-21,26-27H,13-15H2,1-3H3/b11-9+,12-10+/t16-,17-,18-,20+,21+/m0/s1.
What are the key properties of (4S,7E,9R,10S,13E,15R,16S)-9,15-dihydroxy-4,10,16-trimethyl-11-(2-phenylethyl)-1,5-dioxa-11-azacyclohexadeca-7,13-diene-2,6,12-trione?
(4S,7E,9R,10S,13E,15R,16S)-9,15-dihydroxy-4,10,16-trimethyl-11-(2-phenylethyl)-1,5-dioxa-11-azacyclohexadeca-7,13-diene-2,6,12-trione has a molecular weight of 445.51 g/mol, XLogP of 1.55, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,7E,9R,10S,13E,15R,16S)-9,15-dihydroxy-4,10,16-trimethyl-11-(2-phenylethyl)-1,5-dioxa-11-azacyclohexadeca-7,13-diene-2,6,12-trione is sourced from PubChem (CID 54763705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).