(1R,2R,6S,7R,11R)-11-[(4S,7R)-4-methoxy-2,2-dimethyl-7-phenylmethoxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl]-4,4-dimethyl-3,5,10-trioxa-9-azatricyclo[7.3.0.02,6]dodecan-7-ol

C26H37NO9 — CID 134853736

IUPAC(1R,2R,6S,7R,11R)-11-[(4S,7R)-4-methoxy-2,2-dimethyl-7-phenylmethoxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl]-4,4-dimethyl-3,5,10-trioxa-9-azatricyclo[7.3.0.02,6]dodecan-7-ol
SMILESCO[C@H]1OC([C@H]2C[C@@H]3[C@H]4OC(C)(C)O[C@H]4[C@H](O)CN3O2)[C@@H](OCc2ccccc2)C2OC(C)(C)OC21
InChIInChI=1S/C26H37NO9/c1-25(2)32-18-15-11-17(36-27(15)12-16(28)19(18)33-25)20-21(30-13-14-9-7-6-8-10-14)22-23(24(29-5)31-20)35-26(3,4)34-22/h6-10,15-24,28H,11-13H2,1-5H3/t15-,16-,17-,18-,19+,20?,21-,22?,23?,24+/m1/s1
InChIKeyGJILYOIOVDHWSE-WHIOHREISA-N
MW507.58 g/mol
LogP1.73
Rot. Bonds5

About (1R,2R,6S,7R,11R)-11-[(4S,7R)-4-methoxy-2,2-dimethyl-7-phenylmethoxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl]-4,4-dimethyl-3,5,10-trioxa-9-azatricyclo[7.3.0.02,6]dodecan-7-ol

(1R,2R,6S,7R,11R)-11-[(4S,7R)-4-methoxy-2,2-dimethyl-7-phenylmethoxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl]-4,4-dimethyl-3,5,10-trioxa-9-azatricyclo[7.3.0.02,6]dodecan-7-ol (PubChem CID 134853736) has the molecular formula C26H37NO9 and a molecular weight of 507.58 g/mol. Its IUPAC name is (1R,2R,6S,7R,11R)-11-[(4S,7R)-4-methoxy-2,2-dimethyl-7-phenylmethoxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl]-4,4-dimethyl-3,5,10-trioxa-9-azatricyclo[7.3.0.02,6]dodecan-7-ol.

Molecular Properties

Compound Name(1R,2R,6S,7R,11R)-11-[(4S,7R)-4-methoxy-2,2-dimethyl-7-phenylmethoxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl]-4,4-dimethyl-3,5,10-trioxa-9-azatricyclo[7.3.0.02,6]dodecan-7-ol
PubChem CID134853736
Molecular FormulaC26H37NO9
Molecular Weight507.58 g/mol
Exact Mass507.25
IUPAC Name(1R,2R,6S,7R,11R)-11-[(4S,7R)-4-methoxy-2,2-dimethyl-7-phenylmethoxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl]-4,4-dimethyl-3,5,10-trioxa-9-azatricyclo[7.3.0.02,6]dodecan-7-ol
SMILESCO[C@H]1OC([C@H]2C[C@@H]3[C@H]4OC(C)(C)O[C@H]4[C@H](O)CN3O2)[C@@H](OCc2ccccc2)C2OC(C)(C)OC21
InChIInChI=1S/C26H37NO9/c1-25(2)32-18-15-11-17(36-27(15)12-16(28)19(18)33-25)20-21(30-13-14-9-7-6-8-10-14)22-23(24(29-5)31-20)35-26(3,4)34-22/h6-10,15-24,28H,11-13H2,1-5H3/t15-,16-,17-,18-,19+,20?,21-,22?,23?,24+/m1/s1
InChIKeyGJILYOIOVDHWSE-WHIOHREISA-N
XLogP1.73
TPSA97.31 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.58
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze (1R,2R,6S,7R,11R)-11-[(4S,7R)-4-methoxy-2,2-dimethyl-7-phenylmethoxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl]-4,4-dimethyl-3,5,10-trioxa-9-azatricyclo[7.3.0.02,6]dodecan-7-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S,3R,4S,5R)-4-[fluoro-[(2S,3R,4S,5R)-3-hydroxy-2-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octan-4-yl]amino]-2-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octan-3-ol
CID 134883551
(1R,2R,6S,7R,11R)-11-[(3aS,4S,6S,7R,7aS)-4-methoxy-2,2-dimethyl-7-phenylmethoxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl]-4,4-dimethyl-3,5,10-trioxa-9-azatricyclo[7.3.0.02,6]dodecan-7-ol
CID 11432157
(6E,7R,8R,8aS)-8-methyl-6-[(E,2R)-2-methyl-5-[(4R,5R)-2,2,5-trimethyl-1,3-dioxolan-4-yl]hex-4-enylidene]-8-phenylmethoxy-1,2,3,5,7,8a-hexahydroindolizin-7-ol
CID 11812703
(3R,4R,5R)-2-benzyl-3-[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-4-phenylmethoxyoxazinan-5-ol
CID 46180494
(2S,3S,4S,5S)-2-(3,3-dimethoxypropyl)-1-hydroxy-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)pyrrolidine
CID 46188977
6-Methoxy-7-morpholin-4-yl-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol
CID 72757178
(1S,2R,6S,7S,9R,12R)-5-hydroxy-7-methoxy-12-phenyl-8,11,13-trioxa-5-azatricyclo[7.4.0.02,6]tridecane
CID 101369194
(6R,8aS)-6-methoxy-7-morpholin-4-yl-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol
CID 134835555
(6S,8aS)-6-methoxy-7-morpholin-4-yl-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol
CID 134838559
2-[(2R,5R)-1-benzyl-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)piperidin-2-yl]-1-[(6R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]ethanol
CID 134853649
(2R,4aR,6S,7S,8S,8aS)-8-hydroxy-6-methoxy-N,N-dimethyl-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-amine oxide
CID 134877367
(2R,4aR,6R,8S,8aS)-7-[(2R)-2-methylpyrrolidin-1-yl]-2-phenyl-6-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol
CID 134926767

Frequently Asked Questions

What is the IUPAC name of (1R,2R,6S,7R,11R)-11-[(4S,7R)-4-methoxy-2,2-dimethyl-7-phenylmethoxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl]-4,4-dimethyl-3,5,10-trioxa-9-azatricyclo[7.3.0.02,6]dodecan-7-ol?
The IUPAC name of (1R,2R,6S,7R,11R)-11-[(4S,7R)-4-methoxy-2,2-dimethyl-7-phenylmethoxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl]-4,4-dimethyl-3,5,10-trioxa-9-azatricyclo[7.3.0.02,6]dodecan-7-ol (CID 134853736) is (1R,2R,6S,7R,11R)-11-[(4S,7R)-4-methoxy-2,2-dimethyl-7-phenylmethoxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl]-4,4-dimethyl-3,5,10-trioxa-9-azatricyclo[7.3.0.02,6]dodecan-7-ol.
What is the SMILES notation for (1R,2R,6S,7R,11R)-11-[(4S,7R)-4-methoxy-2,2-dimethyl-7-phenylmethoxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl]-4,4-dimethyl-3,5,10-trioxa-9-azatricyclo[7.3.0.02,6]dodecan-7-ol?
The canonical SMILES for (1R,2R,6S,7R,11R)-11-[(4S,7R)-4-methoxy-2,2-dimethyl-7-phenylmethoxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl]-4,4-dimethyl-3,5,10-trioxa-9-azatricyclo[7.3.0.02,6]dodecan-7-ol is CO[C@H]1OC([C@H]2C[C@@H]3[C@H]4OC(C)(C)O[C@H]4[C@H](O)CN3O2)[C@@H](OCc2ccccc2)C2OC(C)(C)OC21.
What is the InChIKey of (1R,2R,6S,7R,11R)-11-[(4S,7R)-4-methoxy-2,2-dimethyl-7-phenylmethoxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl]-4,4-dimethyl-3,5,10-trioxa-9-azatricyclo[7.3.0.02,6]dodecan-7-ol?
The InChIKey is GJILYOIOVDHWSE-WHIOHREISA-N. The full InChI is InChI=1S/C26H37NO9/c1-25(2)32-18-15-11-17(36-27(15)12-16(28)19(18)33-25)20-21(30-13-14-9-7-6-8-10-14)22-23(24(29-5)31-20)35-26(3,4)34-22/h6-10,15-24,28H,11-13H2,1-5H3/t15-,16-,17-,18-,19+,20?,21-,22?,23?,24+/m1/s1.
What are the key properties of (1R,2R,6S,7R,11R)-11-[(4S,7R)-4-methoxy-2,2-dimethyl-7-phenylmethoxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl]-4,4-dimethyl-3,5,10-trioxa-9-azatricyclo[7.3.0.02,6]dodecan-7-ol?
(1R,2R,6S,7R,11R)-11-[(4S,7R)-4-methoxy-2,2-dimethyl-7-phenylmethoxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl]-4,4-dimethyl-3,5,10-trioxa-9-azatricyclo[7.3.0.02,6]dodecan-7-ol has a molecular weight of 507.58 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,6S,7R,11R)-11-[(4S,7R)-4-methoxy-2,2-dimethyl-7-phenylmethoxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl]-4,4-dimethyl-3,5,10-trioxa-9-azatricyclo[7.3.0.02,6]dodecan-7-ol is sourced from PubChem (CID 134853736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).