(10R,11S,12S,14R,26S)-10,11,12,14-tetrahydroxy-19,26-dimethyl-1-azacyclohexacosa-3,5,7,15,17,19,21,23-octaen-2-one

C27H37NO5 — CID 139588130

IUPAC(10R,11S,12S,14R,26S)-10,11,12,14-tetrahydroxy-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@H](O)[C@@H](O)C[C@@H](O)C=CC=C1
InChIInChI=1S/C27H37NO5/c1-21-14-8-6-7-9-16-22(2)28-26(32)19-11-5-3-4-10-18-24(30)27(33)25(31)20-23(29)17-13-12-15-21/h3-15,17,19,22-25,27,29-31,33H,16,18,20H2,1-2H3,(H,28,32)/t22-,23-,24+,25-,27-/m0/s1
InChIKeyMYLIUIYRQGCHBT-DKLFHUDLSA-N
MW455.60 g/mol
LogP2.96
Rot. Bonds

About (10R,11S,12S,14R,26S)-10,11,12,14-tetrahydroxy-19,26-dimethyl-1-azacyclohexacosa-3,5,7,15,17,19,21,23-octaen-2-one

(10R,11S,12S,14R,26S)-10,11,12,14-tetrahydroxy-19,26-dimethyl-1-azacyclohexacosa-3,5,7,15,17,19,21,23-octaen-2-one (PubChem CID 139588130) has the molecular formula C27H37NO5 and a molecular weight of 455.60 g/mol. Its IUPAC name is (10R,11S,12S,14R,26S)-10,11,12,14-tetrahydroxy-19,26-dimethyl-1-azacyclohexacosa-3,5,7,15,17,19,21,23-octaen-2-one.

Molecular Properties

Compound Name(10R,11S,12S,14R,26S)-10,11,12,14-tetrahydroxy-19,26-dimethyl-1-azacyclohexacosa-3,5,7,15,17,19,21,23-octaen-2-one
PubChem CID139588130
Molecular FormulaC27H37NO5
Molecular Weight455.60 g/mol
Exact Mass455.27
IUPAC Name(10R,11S,12S,14R,26S)-10,11,12,14-tetrahydroxy-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@H](O)[C@@H](O)C[C@@H](O)C=CC=C1
InChIInChI=1S/C27H37NO5/c1-21-14-8-6-7-9-16-22(2)28-26(32)19-11-5-3-4-10-18-24(30)27(33)25(31)20-23(29)17-13-12-15-21/h3-15,17,19,22-25,27,29-31,33H,16,18,20H2,1-2H3,(H,28,32)/t22-,23-,24+,25-,27-/m0/s1
InChIKeyMYLIUIYRQGCHBT-DKLFHUDLSA-N
XLogP2.96
TPSA110.02 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.60
LogP ≤ 52.96
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Analyze (10R,11S,12S,14R,26S)-10,11,12,14-tetrahydroxy-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,11S,12S,14R,26S)-10,11,12,14-tetrahydroxy-19,26-dimethyl-1-azacyclohexacosa-3,5,7,15,17,19,21,23-octaen-2-one?
The IUPAC name of (10R,11S,12S,14R,26S)-10,11,12,14-tetrahydroxy-19,26-dimethyl-1-azacyclohexacosa-3,5,7,15,17,19,21,23-octaen-2-one (CID 139588130) is (10R,11S,12S,14R,26S)-10,11,12,14-tetrahydroxy-19,26-dimethyl-1-azacyclohexacosa-3,5,7,15,17,19,21,23-octaen-2-one.
What is the SMILES notation for (10R,11S,12S,14R,26S)-10,11,12,14-tetrahydroxy-19,26-dimethyl-1-azacyclohexacosa-3,5,7,15,17,19,21,23-octaen-2-one?
The canonical SMILES for (10R,11S,12S,14R,26S)-10,11,12,14-tetrahydroxy-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@H](O)[C@@H](O)C[C@@H](O)C=CC=C1.
What is the InChIKey of (10R,11S,12S,14R,26S)-10,11,12,14-tetrahydroxy-19,26-dimethyl-1-azacyclohexacosa-3,5,7,15,17,19,21,23-octaen-2-one?
The InChIKey is MYLIUIYRQGCHBT-DKLFHUDLSA-N. The full InChI is InChI=1S/C27H37NO5/c1-21-14-8-6-7-9-16-22(2)28-26(32)19-11-5-3-4-10-18-24(30)27(33)25(31)20-23(29)17-13-12-15-21/h3-15,17,19,22-25,27,29-31,33H,16,18,20H2,1-2H3,(H,28,32)/t22-,23-,24+,25-,27-/m0/s1.
What are the key properties of (10R,11S,12S,14R,26S)-10,11,12,14-tetrahydroxy-19,26-dimethyl-1-azacyclohexacosa-3,5,7,15,17,19,21,23-octaen-2-one?
(10R,11S,12S,14R,26S)-10,11,12,14-tetrahydroxy-19,26-dimethyl-1-azacyclohexacosa-3,5,7,15,17,19,21,23-octaen-2-one has a molecular weight of 455.60 g/mol, XLogP of 2.96, 0 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (10R,11S,12S,14R,26S)-10,11,12,14-tetrahydroxy-19,26-dimethyl-1-azacyclohexacosa-3,5,7,15,17,19,21,23-octaen-2-one is sourced from PubChem (CID 139588130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).