(1R,5S,9Z,11R,12S,15S,16R,20S,24Z,26R,27S,30S)-15,30-dihydroxy-5,11,20,26-tetramethyl-3,18,31,32-tetraoxa-6,21-diazatricyclo[25.3.1.112,16]dotriaconta-9,13,24,28-tetraene-4,7,19,22-tetrone

C30H42N2O10 — CID 16758309

IUPAC(1R,5S,9Z,11R,12S,15S,16R,20S,24Z,26R,27S,30S)-15,30-dihydroxy-5,11,20,26-tetramethyl-3,18,31,32-tetraoxa-6,21-diazatricyclo[25.3.1.112,16]dotriaconta-9,13,24,28-tetraene-4,7,19,22-tetrone
SMILESC[C@@H]1NC(=O)C/C=C\[C@@H](C)[C@@H]2C=C[C@H](O)[C@@H](COC(=O)[C@H](C)NC(=O)C/C=C\[C@@H](C)[C@@H]3C=C[C@H](O)[C@@H](COC1=O)O3)O2
InChIInChI=1S/C30H42N2O10/c1-17-7-5-9-27(35)31-19(3)30(38)40-16-26-22(34)12-14-24(42-26)18(2)8-6-10-28(36)32-20(4)29(37)39-15-25-21(33)11-13-23(17)41-25/h5-8,11-14,17-26,33-34H,9-10,15-16H2,1-4H3,(H,31,35)(H,32,36)/b7-5-,8-6-/t17-,18-,19+,20+,21+,22+,23+,24+,25-,26-/m1/s1
InChIKeyWYJYKKTVOGEOTF-HDBIUNITSA-N
MW590.67 g/mol
LogP0.63
Rot. Bonds

About (1R,5S,9Z,11R,12S,15S,16R,20S,24Z,26R,27S,30S)-15,30-dihydroxy-5,11,20,26-tetramethyl-3,18,31,32-tetraoxa-6,21-diazatricyclo[25.3.1.112,16]dotriaconta-9,13,24,28-tetraene-4,7,19,22-tetrone

(1R,5S,9Z,11R,12S,15S,16R,20S,24Z,26R,27S,30S)-15,30-dihydroxy-5,11,20,26-tetramethyl-3,18,31,32-tetraoxa-6,21-diazatricyclo[25.3.1.112,16]dotriaconta-9,13,24,28-tetraene-4,7,19,22-tetrone (PubChem CID 16758309) has the molecular formula C30H42N2O10 and a molecular weight of 590.67 g/mol. Its IUPAC name is (1R,5S,9Z,11R,12S,15S,16R,20S,24Z,26R,27S,30S)-15,30-dihydroxy-5,11,20,26-tetramethyl-3,18,31,32-tetraoxa-6,21-diazatricyclo[25.3.1.112,16]dotriaconta-9,13,24,28-tetraene-4,7,19,22-tetrone.

Molecular Properties

Compound Name(1R,5S,9Z,11R,12S,15S,16R,20S,24Z,26R,27S,30S)-15,30-dihydroxy-5,11,20,26-tetramethyl-3,18,31,32-tetraoxa-6,21-diazatricyclo[25.3.1.112,16]dotriaconta-9,13,24,28-tetraene-4,7,19,22-tetrone
PubChem CID16758309
Molecular FormulaC30H42N2O10
Molecular Weight590.67 g/mol
Exact Mass590.28
IUPAC Name(1R,5S,9Z,11R,12S,15S,16R,20S,24Z,26R,27S,30S)-15,30-dihydroxy-5,11,20,26-tetramethyl-3,18,31,32-tetraoxa-6,21-diazatricyclo[25.3.1.112,16]dotriaconta-9,13,24,28-tetraene-4,7,19,22-tetrone
SMILESC[C@@H]1NC(=O)C/C=C\[C@@H](C)[C@@H]2C=C[C@H](O)[C@@H](COC(=O)[C@H](C)NC(=O)C/C=C\[C@@H](C)[C@@H]3C=C[C@H](O)[C@@H](COC1=O)O3)O2
InChIInChI=1S/C30H42N2O10/c1-17-7-5-9-27(35)31-19(3)30(38)40-16-26-22(34)12-14-24(42-26)18(2)8-6-10-28(36)32-20(4)29(37)39-15-25-21(33)11-13-23(17)41-25/h5-8,11-14,17-26,33-34H,9-10,15-16H2,1-4H3,(H,31,35)(H,32,36)/b7-5-,8-6-/t17-,18-,19+,20+,21+,22+,23+,24+,25-,26-/m1/s1
InChIKeyWYJYKKTVOGEOTF-HDBIUNITSA-N
XLogP0.63
TPSA169.72 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500590.67
LogP ≤ 50.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (1R,5S,9Z,11R,12S,15S,16R,20S,24Z,26R,27S,30S)-15,30-dihydroxy-5,11,20,26-tetramethyl-3,18,31,32-tetraoxa-6,21-diazatricyclo[25.3.1.112,16]dotriaconta-9,13,24,28-tetraene-4,7,19,22-tetrone with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,5S,9Z,11R,12S,15S,16R,20S,24Z,26R,27S,30S)-15,30-dihydroxy-5,11,20,26-tetramethyl-3,18,31,32-tetraoxa-6,21-diazatricyclo[25.3.1.112,16]dotriaconta-9,13,24,28-tetraene-4,7,19,22-tetrone?
The IUPAC name of (1R,5S,9Z,11R,12S,15S,16R,20S,24Z,26R,27S,30S)-15,30-dihydroxy-5,11,20,26-tetramethyl-3,18,31,32-tetraoxa-6,21-diazatricyclo[25.3.1.112,16]dotriaconta-9,13,24,28-tetraene-4,7,19,22-tetrone (CID 16758309) is (1R,5S,9Z,11R,12S,15S,16R,20S,24Z,26R,27S,30S)-15,30-dihydroxy-5,11,20,26-tetramethyl-3,18,31,32-tetraoxa-6,21-diazatricyclo[25.3.1.112,16]dotriaconta-9,13,24,28-tetraene-4,7,19,22-tetrone.
What is the SMILES notation for (1R,5S,9Z,11R,12S,15S,16R,20S,24Z,26R,27S,30S)-15,30-dihydroxy-5,11,20,26-tetramethyl-3,18,31,32-tetraoxa-6,21-diazatricyclo[25.3.1.112,16]dotriaconta-9,13,24,28-tetraene-4,7,19,22-tetrone?
The canonical SMILES for (1R,5S,9Z,11R,12S,15S,16R,20S,24Z,26R,27S,30S)-15,30-dihydroxy-5,11,20,26-tetramethyl-3,18,31,32-tetraoxa-6,21-diazatricyclo[25.3.1.112,16]dotriaconta-9,13,24,28-tetraene-4,7,19,22-tetrone is C[C@@H]1NC(=O)C/C=C\[C@@H](C)[C@@H]2C=C[C@H](O)[C@@H](COC(=O)[C@H](C)NC(=O)C/C=C\[C@@H](C)[C@@H]3C=C[C@H](O)[C@@H](COC1=O)O3)O2.
What is the InChIKey of (1R,5S,9Z,11R,12S,15S,16R,20S,24Z,26R,27S,30S)-15,30-dihydroxy-5,11,20,26-tetramethyl-3,18,31,32-tetraoxa-6,21-diazatricyclo[25.3.1.112,16]dotriaconta-9,13,24,28-tetraene-4,7,19,22-tetrone?
The InChIKey is WYJYKKTVOGEOTF-HDBIUNITSA-N. The full InChI is InChI=1S/C30H42N2O10/c1-17-7-5-9-27(35)31-19(3)30(38)40-16-26-22(34)12-14-24(42-26)18(2)8-6-10-28(36)32-20(4)29(37)39-15-25-21(33)11-13-23(17)41-25/h5-8,11-14,17-26,33-34H,9-10,15-16H2,1-4H3,(H,31,35)(H,32,36)/b7-5-,8-6-/t17-,18-,19+,20+,21+,22+,23+,24+,25-,26-/m1/s1.
What are the key properties of (1R,5S,9Z,11R,12S,15S,16R,20S,24Z,26R,27S,30S)-15,30-dihydroxy-5,11,20,26-tetramethyl-3,18,31,32-tetraoxa-6,21-diazatricyclo[25.3.1.112,16]dotriaconta-9,13,24,28-tetraene-4,7,19,22-tetrone?
(1R,5S,9Z,11R,12S,15S,16R,20S,24Z,26R,27S,30S)-15,30-dihydroxy-5,11,20,26-tetramethyl-3,18,31,32-tetraoxa-6,21-diazatricyclo[25.3.1.112,16]dotriaconta-9,13,24,28-tetraene-4,7,19,22-tetrone has a molecular weight of 590.67 g/mol, XLogP of 0.63, 0 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S,9Z,11R,12S,15S,16R,20S,24Z,26R,27S,30S)-15,30-dihydroxy-5,11,20,26-tetramethyl-3,18,31,32-tetraoxa-6,21-diazatricyclo[25.3.1.112,16]dotriaconta-9,13,24,28-tetraene-4,7,19,22-tetrone is sourced from PubChem (CID 16758309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).