(4R,5S,6R,7S,9R,10R,11E,13E,16R)-7-hydroxy-7-(2-hydroxyethyl)-5-methoxy-6-(3-methoxy-4,5,6-trimethyloxan-2-yl)oxy-4,9,10,16-tetramethyl-1-oxacyclohexadeca-11,13-dien-2-one;rhodium

C31H54O8Rh — CID 59912162

IUPAC(4R,5S,6R,7S,9R,10R,11E,13E,16R)-7-hydroxy-7-(2-hydroxyethyl)-5-methoxy-6-(3-methoxy-4,5,6-trimethyloxan-2-yl)oxy-4,9,10,16-tetramethyl-1-oxacyclohexadeca-11,13-dien-2-one;rhodium
SMILESCOC1C(O[C@@H]2[C@@H](OC)[C@H](C)CC(=O)O[C@H](C)C/C=C/C=C/[C@H](C)[C@H](C)C[C@]2(O)CCO)OC(C)C(C)C1C.[Rh]
InChIInChI=1S/C31H54O8.Rh/c1-19-13-11-10-12-14-22(4)37-26(33)17-20(2)27(35-8)29(31(34,15-16-32)18-21(19)3)39-30-28(36-9)24(6)23(5)25(7)38-30;/h10-13,19-25,27-30,32,34H,14-18H2,1-9H3;/b12-10+,13-11+;/t19-,20+,21+,22+,23?,24?,25?,27-,28?,29+,30?,31+;/m0./s1
InChIKeyGILHLHNQGHJRSU-WXZQDSAISA-N
MW657.67 g/mol
LogP4.67
Rot. Bonds6

About (4R,5S,6R,7S,9R,10R,11E,13E,16R)-7-hydroxy-7-(2-hydroxyethyl)-5-methoxy-6-(3-methoxy-4,5,6-trimethyloxan-2-yl)oxy-4,9,10,16-tetramethyl-1-oxacyclohexadeca-11,13-dien-2-one;rhodium

(4R,5S,6R,7S,9R,10R,11E,13E,16R)-7-hydroxy-7-(2-hydroxyethyl)-5-methoxy-6-(3-methoxy-4,5,6-trimethyloxan-2-yl)oxy-4,9,10,16-tetramethyl-1-oxacyclohexadeca-11,13-dien-2-one;rhodium (PubChem CID 59912162) has the molecular formula C31H54O8Rh and a molecular weight of 657.67 g/mol. Its IUPAC name is (4R,5S,6R,7S,9R,10R,11E,13E,16R)-7-hydroxy-7-(2-hydroxyethyl)-5-methoxy-6-(3-methoxy-4,5,6-trimethyloxan-2-yl)oxy-4,9,10,16-tetramethyl-1-oxacyclohexadeca-11,13-dien-2-one;rhodium.

Molecular Properties

Compound Name(4R,5S,6R,7S,9R,10R,11E,13E,16R)-7-hydroxy-7-(2-hydroxyethyl)-5-methoxy-6-(3-methoxy-4,5,6-trimethyloxan-2-yl)oxy-4,9,10,16-tetramethyl-1-oxacyclohexadeca-11,13-dien-2-one;rhodium
PubChem CID59912162
Molecular FormulaC31H54O8Rh
Molecular Weight657.67 g/mol
Exact Mass657.29
IUPAC Name(4R,5S,6R,7S,9R,10R,11E,13E,16R)-7-hydroxy-7-(2-hydroxyethyl)-5-methoxy-6-(3-methoxy-4,5,6-trimethyloxan-2-yl)oxy-4,9,10,16-tetramethyl-1-oxacyclohexadeca-11,13-dien-2-one;rhodium
SMILESCOC1C(O[C@@H]2[C@@H](OC)[C@H](C)CC(=O)O[C@H](C)C/C=C/C=C/[C@H](C)[C@H](C)C[C@]2(O)CCO)OC(C)C(C)C1C.[Rh]
InChIInChI=1S/C31H54O8.Rh/c1-19-13-11-10-12-14-22(4)37-26(33)17-20(2)27(35-8)29(31(34,15-16-32)18-21(19)3)39-30-28(36-9)24(6)23(5)25(7)38-30;/h10-13,19-25,27-30,32,34H,14-18H2,1-9H3;/b12-10+,13-11+;/t19-,20+,21+,22+,23?,24?,25?,27-,28?,29+,30?,31+;/m0./s1
InChIKeyGILHLHNQGHJRSU-WXZQDSAISA-N
XLogP4.67
TPSA103.68 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500657.67
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze (4R,5S,6R,7S,9R,10R,11E,13E,16R)-7-hydroxy-7-(2-hydroxyethyl)-5-methoxy-6-(3-methoxy-4,5,6-trimethyloxan-2-yl)oxy-4,9,10,16-tetramethyl-1-oxacyclohexadeca-11,13-dien-2-one;rhodium with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4R,5S,6R,7S,9R,10R,11E,13E,16R)-7-hydroxy-7-(2-hydroxyethyl)-5-methoxy-6-(3-methoxy-4,5,6-trimethyloxan-2-yl)oxy-4,9,10,16-tetramethyl-1-oxacyclohexadeca-11,13-dien-2-one;rhodium?
The IUPAC name of (4R,5S,6R,7S,9R,10R,11E,13E,16R)-7-hydroxy-7-(2-hydroxyethyl)-5-methoxy-6-(3-methoxy-4,5,6-trimethyloxan-2-yl)oxy-4,9,10,16-tetramethyl-1-oxacyclohexadeca-11,13-dien-2-one;rhodium (CID 59912162) is (4R,5S,6R,7S,9R,10R,11E,13E,16R)-7-hydroxy-7-(2-hydroxyethyl)-5-methoxy-6-(3-methoxy-4,5,6-trimethyloxan-2-yl)oxy-4,9,10,16-tetramethyl-1-oxacyclohexadeca-11,13-dien-2-one;rhodium.
What is the SMILES notation for (4R,5S,6R,7S,9R,10R,11E,13E,16R)-7-hydroxy-7-(2-hydroxyethyl)-5-methoxy-6-(3-methoxy-4,5,6-trimethyloxan-2-yl)oxy-4,9,10,16-tetramethyl-1-oxacyclohexadeca-11,13-dien-2-one;rhodium?
The canonical SMILES for (4R,5S,6R,7S,9R,10R,11E,13E,16R)-7-hydroxy-7-(2-hydroxyethyl)-5-methoxy-6-(3-methoxy-4,5,6-trimethyloxan-2-yl)oxy-4,9,10,16-tetramethyl-1-oxacyclohexadeca-11,13-dien-2-one;rhodium is COC1C(O[C@@H]2[C@@H](OC)[C@H](C)CC(=O)O[C@H](C)C/C=C/C=C/[C@H](C)[C@H](C)C[C@]2(O)CCO)OC(C)C(C)C1C.[Rh].
What is the InChIKey of (4R,5S,6R,7S,9R,10R,11E,13E,16R)-7-hydroxy-7-(2-hydroxyethyl)-5-methoxy-6-(3-methoxy-4,5,6-trimethyloxan-2-yl)oxy-4,9,10,16-tetramethyl-1-oxacyclohexadeca-11,13-dien-2-one;rhodium?
The InChIKey is GILHLHNQGHJRSU-WXZQDSAISA-N. The full InChI is InChI=1S/C31H54O8.Rh/c1-19-13-11-10-12-14-22(4)37-26(33)17-20(2)27(35-8)29(31(34,15-16-32)18-21(19)3)39-30-28(36-9)24(6)23(5)25(7)38-30;/h10-13,19-25,27-30,32,34H,14-18H2,1-9H3;/b12-10+,13-11+;/t19-,20+,21+,22+,23?,24?,25?,27-,28?,29+,30?,31+;/m0./s1.
What are the key properties of (4R,5S,6R,7S,9R,10R,11E,13E,16R)-7-hydroxy-7-(2-hydroxyethyl)-5-methoxy-6-(3-methoxy-4,5,6-trimethyloxan-2-yl)oxy-4,9,10,16-tetramethyl-1-oxacyclohexadeca-11,13-dien-2-one;rhodium?
(4R,5S,6R,7S,9R,10R,11E,13E,16R)-7-hydroxy-7-(2-hydroxyethyl)-5-methoxy-6-(3-methoxy-4,5,6-trimethyloxan-2-yl)oxy-4,9,10,16-tetramethyl-1-oxacyclohexadeca-11,13-dien-2-one;rhodium has a molecular weight of 657.67 g/mol, XLogP of 4.67, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S,6R,7S,9R,10R,11E,13E,16R)-7-hydroxy-7-(2-hydroxyethyl)-5-methoxy-6-(3-methoxy-4,5,6-trimethyloxan-2-yl)oxy-4,9,10,16-tetramethyl-1-oxacyclohexadeca-11,13-dien-2-one;rhodium is sourced from PubChem (CID 59912162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).