(2R,3S,4R,5R,8S,10R,11R,12R,14S)-8-ethenyl-10-ethoxy-2-ethyl-14-fluoro-3,4-dihydroxy-3,5,6,10,11,12,14-heptamethyl-1-oxa-6-azacyclopentadecane-13,15-dione

C26H46FNO6 — CID 143417561

IUPAC(2R,3S,4R,5R,8S,10R,11R,12R,14S)-8-ethenyl-10-ethoxy-2-ethyl-14-fluoro-3,4-dihydroxy-3,5,6,10,11,12,14-heptamethyl-1-oxa-6-azacyclopentadecane-13,15-dione
SMILESC=C[C@H]1CN(C)[C@H](C)[C@@H](O)[C@](C)(O)[C@@H](CC)OC(=O)[C@@](C)(F)C(=O)[C@H](C)[C@@H](C)[C@](C)(OCC)C1
InChIInChI=1S/C26H46FNO6/c1-11-19-14-24(7,33-13-3)17(5)16(4)21(29)25(8,27)23(31)34-20(12-2)26(9,32)22(30)18(6)28(10)15-19/h11,16-20,22,30,32H,1,12-15H2,2-10H3/t16-,17-,18-,19-,20-,22-,24-,25+,26-/m1/s1
InChIKeyULEZZIBFWDIOIA-OKBBJWEESA-N
MW487.65 g/mol
LogP3.31
Rot. Bonds4

About (2R,3S,4R,5R,8S,10R,11R,12R,14S)-8-ethenyl-10-ethoxy-2-ethyl-14-fluoro-3,4-dihydroxy-3,5,6,10,11,12,14-heptamethyl-1-oxa-6-azacyclopentadecane-13,15-dione

(2R,3S,4R,5R,8S,10R,11R,12R,14S)-8-ethenyl-10-ethoxy-2-ethyl-14-fluoro-3,4-dihydroxy-3,5,6,10,11,12,14-heptamethyl-1-oxa-6-azacyclopentadecane-13,15-dione (PubChem CID 143417561) has the molecular formula C26H46FNO6 and a molecular weight of 487.65 g/mol. Its IUPAC name is (2R,3S,4R,5R,8S,10R,11R,12R,14S)-8-ethenyl-10-ethoxy-2-ethyl-14-fluoro-3,4-dihydroxy-3,5,6,10,11,12,14-heptamethyl-1-oxa-6-azacyclopentadecane-13,15-dione.

Molecular Properties

Compound Name(2R,3S,4R,5R,8S,10R,11R,12R,14S)-8-ethenyl-10-ethoxy-2-ethyl-14-fluoro-3,4-dihydroxy-3,5,6,10,11,12,14-heptamethyl-1-oxa-6-azacyclopentadecane-13,15-dione
PubChem CID143417561
Molecular FormulaC26H46FNO6
Molecular Weight487.65 g/mol
Exact Mass487.33
IUPAC Name(2R,3S,4R,5R,8S,10R,11R,12R,14S)-8-ethenyl-10-ethoxy-2-ethyl-14-fluoro-3,4-dihydroxy-3,5,6,10,11,12,14-heptamethyl-1-oxa-6-azacyclopentadecane-13,15-dione
SMILESC=C[C@H]1CN(C)[C@H](C)[C@@H](O)[C@](C)(O)[C@@H](CC)OC(=O)[C@@](C)(F)C(=O)[C@H](C)[C@@H](C)[C@](C)(OCC)C1
InChIInChI=1S/C26H46FNO6/c1-11-19-14-24(7,33-13-3)17(5)16(4)21(29)25(8,27)23(31)34-20(12-2)26(9,32)22(30)18(6)28(10)15-19/h11,16-20,22,30,32H,1,12-15H2,2-10H3/t16-,17-,18-,19-,20-,22-,24-,25+,26-/m1/s1
InChIKeyULEZZIBFWDIOIA-OKBBJWEESA-N
XLogP3.31
TPSA96.30 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.65
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (2R,3S,4R,5R,8S,10R,11R,12R,14S)-8-ethenyl-10-ethoxy-2-ethyl-14-fluoro-3,4-dihydroxy-3,5,6,10,11,12,14-heptamethyl-1-oxa-6-azacyclopentadecane-13,15-dione with MolForge

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Related Compounds

(2R,3S,4R,5R,8R,10R,11R,12R,14S)-11-[(2S)-butan-2-yl]-2-ethyl-14-fluoro-3,4-dihydroxy-10-methoxy-3,5,6,8,10,12,14-heptamethyl-1-oxa-6-azacyclopentadecane-13,15-dione
CID 71066629
(2R,3S,4R,5R,8R,11R,12S,13S,14R)-2-ethyl-3,4-dihydroxy-3,5,6,8,10,10,11,12,13,14-decamethyl-1-oxa-6-azacyclopentadecan-15-one
CID 142879167
(2R,3S,4R,5R,8R,10R,11R,12R,14S)-10-[2-(3-aminopropylamino)ethoxy]-2-ethyl-11-[(2S,3R,4S,6R)-4-[ethyl(methyl)amino]-3-hydroxy-6-methyloxan-2-yl]oxy-14-fluoro-3,4-dihydroxy-3,5,6,8,10,12,14-heptamethyl-1-oxa-6-azacyclopentadecane-13,15-dione
CID 71158556
10-[2-[3-(dimethylamino)propylamino]ethoxy]-2-ethyl-3,4-dihydroxy-3,5,6,8,10,11,12,14-octamethyl-1-oxa-6-azacyclopentadecane-13,15-dione
CID 23547777
(3S,5R,6R,7R,9R,11R,12R,13S,14R)-3-fluoro-12,13-dihydroxy-7-methoxy-3,5,6,7,9,11,13,14-octamethyl-oxacyclotetradecane-2,4,10-trione
CID 163824596
(1S,2R,5S,7R,9R,11R,14R,15R)-2-ethyl-5-fluoro-1,5,7,8,9,11,13,14-octamethyl-9-[(E)-3-quinolin-3-ylprop-2-enoxy]-3,18-dioxa-13,16-diazabicyclo[13.3.0]octadecane-4,6,17-trione
CID 121373500
(2R,3S,4R,5R,8R,10R,12R,13S,14R)-2-ethyl-3,4,10-trihydroxy-13-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,6,8,10,12,14-heptamethyl-1-oxa-6-azacyclopentadecan-15-one
CID 59741774
(2R,3S,4R,5R,8R,10R,11S,12R,14R)-11-tert-butyl-2-ethyl-3,4,10-trihydroxy-3,5,6,8,10,12,14-heptamethyl-1-oxa-6-azacyclopentadecane-13,15-dione
CID 58756475
11-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-3,4,10,13-tetrahydroxy-3,5,6,8,10,12,14-heptamethyl-1-oxa-6-azacyclopentadecan-15-one
CID 175690854
(3S,4S,5S,8R,10S,11R,13S)-11-[(3R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-3,4,10,13-tetrahydroxy-3,5,6,8,10,12,14-heptamethyl-1-oxa-6-azacyclopentadecan-15-one
CID 117065597
N-[(2S,3R,4S,6R)-2-[[(2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-2-ethyl-3,4,10,13-tetrahydroxy-3,5,6,8,10,12,14-heptamethyl-15-oxo-1-oxa-6-azacyclopentadec-11-yl]oxy]-3-hydroxy-6-methyloxan-4-yl]-N-methyldocosa-4,7,10,13,16,19-hexaenamide
CID 67413030
(3S,4R,5R,8R,10R,11R,12S,13S,14R)-11-(disulfanylmethoxy)-2-ethyl-3,4,10-trihydroxy-13-(5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl)oxy-3,5,6,8,12,14-hexamethyl-1-oxa-6-azacyclopentadecan-15-one
CID 163712891

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,5R,8S,10R,11R,12R,14S)-8-ethenyl-10-ethoxy-2-ethyl-14-fluoro-3,4-dihydroxy-3,5,6,10,11,12,14-heptamethyl-1-oxa-6-azacyclopentadecane-13,15-dione?
The IUPAC name of (2R,3S,4R,5R,8S,10R,11R,12R,14S)-8-ethenyl-10-ethoxy-2-ethyl-14-fluoro-3,4-dihydroxy-3,5,6,10,11,12,14-heptamethyl-1-oxa-6-azacyclopentadecane-13,15-dione (CID 143417561) is (2R,3S,4R,5R,8S,10R,11R,12R,14S)-8-ethenyl-10-ethoxy-2-ethyl-14-fluoro-3,4-dihydroxy-3,5,6,10,11,12,14-heptamethyl-1-oxa-6-azacyclopentadecane-13,15-dione.
What is the SMILES notation for (2R,3S,4R,5R,8S,10R,11R,12R,14S)-8-ethenyl-10-ethoxy-2-ethyl-14-fluoro-3,4-dihydroxy-3,5,6,10,11,12,14-heptamethyl-1-oxa-6-azacyclopentadecane-13,15-dione?
The canonical SMILES for (2R,3S,4R,5R,8S,10R,11R,12R,14S)-8-ethenyl-10-ethoxy-2-ethyl-14-fluoro-3,4-dihydroxy-3,5,6,10,11,12,14-heptamethyl-1-oxa-6-azacyclopentadecane-13,15-dione is C=C[C@H]1CN(C)[C@H](C)[C@@H](O)[C@](C)(O)[C@@H](CC)OC(=O)[C@@](C)(F)C(=O)[C@H](C)[C@@H](C)[C@](C)(OCC)C1.
What is the InChIKey of (2R,3S,4R,5R,8S,10R,11R,12R,14S)-8-ethenyl-10-ethoxy-2-ethyl-14-fluoro-3,4-dihydroxy-3,5,6,10,11,12,14-heptamethyl-1-oxa-6-azacyclopentadecane-13,15-dione?
The InChIKey is ULEZZIBFWDIOIA-OKBBJWEESA-N. The full InChI is InChI=1S/C26H46FNO6/c1-11-19-14-24(7,33-13-3)17(5)16(4)21(29)25(8,27)23(31)34-20(12-2)26(9,32)22(30)18(6)28(10)15-19/h11,16-20,22,30,32H,1,12-15H2,2-10H3/t16-,17-,18-,19-,20-,22-,24-,25+,26-/m1/s1.
What are the key properties of (2R,3S,4R,5R,8S,10R,11R,12R,14S)-8-ethenyl-10-ethoxy-2-ethyl-14-fluoro-3,4-dihydroxy-3,5,6,10,11,12,14-heptamethyl-1-oxa-6-azacyclopentadecane-13,15-dione?
(2R,3S,4R,5R,8S,10R,11R,12R,14S)-8-ethenyl-10-ethoxy-2-ethyl-14-fluoro-3,4-dihydroxy-3,5,6,10,11,12,14-heptamethyl-1-oxa-6-azacyclopentadecane-13,15-dione has a molecular weight of 487.65 g/mol, XLogP of 3.31, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R,5R,8S,10R,11R,12R,14S)-8-ethenyl-10-ethoxy-2-ethyl-14-fluoro-3,4-dihydroxy-3,5,6,10,11,12,14-heptamethyl-1-oxa-6-azacyclopentadecane-13,15-dione is sourced from PubChem (CID 143417561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).