(10R,12R,14R,26S)-10,12,14-trihydroxy-19,26-dimethyl-1-azacyclohexacosa-3,5,7,15,17,19,21,23-octaen-2-one

C27H37NO4 — CID 139587895

IUPAC(10R,12R,14R,26S)-10,12,14-trihydroxy-19,26-dimethyl-1-azacyclohexacosa-3,5,7,15,17,19,21,23-octaen-2-one
SMILESCC1=CC=CC=CC[C@H](C)NC(=O)C=CC=CC=CC[C@@H](O)C[C@@H](O)C[C@@H](O)C=CC=C1
InChIInChI=1S/C27H37NO4/c1-22-14-8-6-7-9-16-23(2)28-27(32)19-11-5-3-4-10-17-24(29)20-26(31)21-25(30)18-13-12-15-22/h3-15,18-19,23-26,29-31H,16-17,20-21H2,1-2H3,(H,28,32)/t23-,24+,25-,26+/m0/s1
InChIKeyUGEFTPDLHPVPKD-ROXDYWFKSA-N
MW439.60 g/mol
LogP3.99
Rot. Bonds

About (10R,12R,14R,26S)-10,12,14-trihydroxy-19,26-dimethyl-1-azacyclohexacosa-3,5,7,15,17,19,21,23-octaen-2-one

(10R,12R,14R,26S)-10,12,14-trihydroxy-19,26-dimethyl-1-azacyclohexacosa-3,5,7,15,17,19,21,23-octaen-2-one (PubChem CID 139587895) has the molecular formula C27H37NO4 and a molecular weight of 439.60 g/mol. Its IUPAC name is (10R,12R,14R,26S)-10,12,14-trihydroxy-19,26-dimethyl-1-azacyclohexacosa-3,5,7,15,17,19,21,23-octaen-2-one.

Molecular Properties

Compound Name(10R,12R,14R,26S)-10,12,14-trihydroxy-19,26-dimethyl-1-azacyclohexacosa-3,5,7,15,17,19,21,23-octaen-2-one
PubChem CID139587895
Molecular FormulaC27H37NO4
Molecular Weight439.60 g/mol
Exact Mass439.27
IUPAC Name(10R,12R,14R,26S)-10,12,14-trihydroxy-19,26-dimethyl-1-azacyclohexacosa-3,5,7,15,17,19,21,23-octaen-2-one
SMILESCC1=CC=CC=CC[C@H](C)NC(=O)C=CC=CC=CC[C@@H](O)C[C@@H](O)C[C@@H](O)C=CC=C1
InChIInChI=1S/C27H37NO4/c1-22-14-8-6-7-9-16-23(2)28-27(32)19-11-5-3-4-10-17-24(29)20-26(31)21-25(30)18-13-12-15-22/h3-15,18-19,23-26,29-31H,16-17,20-21H2,1-2H3,(H,28,32)/t23-,24+,25-,26+/m0/s1
InChIKeyUGEFTPDLHPVPKD-ROXDYWFKSA-N
XLogP3.99
TPSA89.79 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.60
LogP ≤ 53.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze (10R,12R,14R,26S)-10,12,14-trihydroxy-19,26-dimethyl-1-azacyclohexacosa-3,5,7,15,17,19,21,23-octaen-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (10R,12R,14R,26S)-10,12,14-trihydroxy-19,26-dimethyl-1-azacyclohexacosa-3,5,7,15,17,19,21,23-octaen-2-one?
The IUPAC name of (10R,12R,14R,26S)-10,12,14-trihydroxy-19,26-dimethyl-1-azacyclohexacosa-3,5,7,15,17,19,21,23-octaen-2-one (CID 139587895) is (10R,12R,14R,26S)-10,12,14-trihydroxy-19,26-dimethyl-1-azacyclohexacosa-3,5,7,15,17,19,21,23-octaen-2-one.
What is the SMILES notation for (10R,12R,14R,26S)-10,12,14-trihydroxy-19,26-dimethyl-1-azacyclohexacosa-3,5,7,15,17,19,21,23-octaen-2-one?
The canonical SMILES for (10R,12R,14R,26S)-10,12,14-trihydroxy-19,26-dimethyl-1-azacyclohexacosa-3,5,7,15,17,19,21,23-octaen-2-one is CC1=CC=CC=CC[C@H](C)NC(=O)C=CC=CC=CC[C@@H](O)C[C@@H](O)C[C@@H](O)C=CC=C1.
What is the InChIKey of (10R,12R,14R,26S)-10,12,14-trihydroxy-19,26-dimethyl-1-azacyclohexacosa-3,5,7,15,17,19,21,23-octaen-2-one?
The InChIKey is UGEFTPDLHPVPKD-ROXDYWFKSA-N. The full InChI is InChI=1S/C27H37NO4/c1-22-14-8-6-7-9-16-23(2)28-27(32)19-11-5-3-4-10-17-24(29)20-26(31)21-25(30)18-13-12-15-22/h3-15,18-19,23-26,29-31H,16-17,20-21H2,1-2H3,(H,28,32)/t23-,24+,25-,26+/m0/s1.
What are the key properties of (10R,12R,14R,26S)-10,12,14-trihydroxy-19,26-dimethyl-1-azacyclohexacosa-3,5,7,15,17,19,21,23-octaen-2-one?
(10R,12R,14R,26S)-10,12,14-trihydroxy-19,26-dimethyl-1-azacyclohexacosa-3,5,7,15,17,19,21,23-octaen-2-one has a molecular weight of 439.60 g/mol, XLogP of 3.99, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (10R,12R,14R,26S)-10,12,14-trihydroxy-19,26-dimethyl-1-azacyclohexacosa-3,5,7,15,17,19,21,23-octaen-2-one is sourced from PubChem (CID 139587895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).