(2S,3R,4R,8R,9S,10S)-8-hydroxy-2-methoxy-4-[(4-methoxyphenyl)methoxy]-5,5,9-trimethyl-12-phenylmethoxy-3,10-bis(triethylsilyloxy)-1-[(4S,5S,6R)-2,2,5-trimethyl-6-[(2R)-1-trityloxypropan-2-yl]-1,3-dioxan-4-yl]dodecan-6-one

C72H106O11Si2 — CID 11094415

IUPAC(2S,3R,4R,8R,9S,10S)-8-hydroxy-2-methoxy-4-[(4-methoxyphenyl)methoxy]-5,5,9-trimethyl-12-phenylmethoxy-3,10-bis(triethylsilyloxy)-1-[(4S,5S,6R)-2,2,5-trimethyl-6-[(2R)-1-trityloxypropan-2-yl]-1,3-dioxan-4-yl]dodecan-6-one
SMILESCC[Si](CC)(CC)O[C@H]([C@H](C[C@@H]1OC(C)(C)O[C@H]([C@H](C)COC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@H]1C)OC)[C@H](OCc1ccc(OC)cc1)C(C)(C)C(=O)C[C@@H](O)[C@H](C)[C@H](CCOCc1ccccc1)O[Si](CC)(CC)CC
InChIInChI=1S/C72H106O11Si2/c1-16-84(17-2,18-3)82-63(46-47-77-51-56-34-26-22-27-35-56)54(8)62(73)48-66(74)70(10,11)69(78-52-57-42-44-61(75-14)45-43-57)68(83-85(19-4,20-5)21-6)65(76-15)49-64-55(9)67(81-71(12,13)80-64)53(7)50-79-72(58-36-28-23-29-37-58,59-38-30-24-31-39-59)60-40-32-25-33-41-60/h22-45,53-55,62-65,67-69,73H,16-21,46-52H2,1-15H3/t53-,54+,55+,62-,63+,64+,65+,67-,68-,69+/m1/s1
InChIKeyJISANTLAUNKYJX-NZHBISFUSA-N
MW1203.80 g/mol
LogP16.16
Rot. Bonds37

About (2S,3R,4R,8R,9S,10S)-8-hydroxy-2-methoxy-4-[(4-methoxyphenyl)methoxy]-5,5,9-trimethyl-12-phenylmethoxy-3,10-bis(triethylsilyloxy)-1-[(4S,5S,6R)-2,2,5-trimethyl-6-[(2R)-1-trityloxypropan-2-yl]-1,3-dioxan-4-yl]dodecan-6-one

(2S,3R,4R,8R,9S,10S)-8-hydroxy-2-methoxy-4-[(4-methoxyphenyl)methoxy]-5,5,9-trimethyl-12-phenylmethoxy-3,10-bis(triethylsilyloxy)-1-[(4S,5S,6R)-2,2,5-trimethyl-6-[(2R)-1-trityloxypropan-2-yl]-1,3-dioxan-4-yl]dodecan-6-one (PubChem CID 11094415) has the molecular formula C72H106O11Si2 and a molecular weight of 1203.80 g/mol. Its IUPAC name is (2S,3R,4R,8R,9S,10S)-8-hydroxy-2-methoxy-4-[(4-methoxyphenyl)methoxy]-5,5,9-trimethyl-12-phenylmethoxy-3,10-bis(triethylsilyloxy)-1-[(4S,5S,6R)-2,2,5-trimethyl-6-[(2R)-1-trityloxypropan-2-yl]-1,3-dioxan-4-yl]dodecan-6-one.

Molecular Properties

Compound Name(2S,3R,4R,8R,9S,10S)-8-hydroxy-2-methoxy-4-[(4-methoxyphenyl)methoxy]-5,5,9-trimethyl-12-phenylmethoxy-3,10-bis(triethylsilyloxy)-1-[(4S,5S,6R)-2,2,5-trimethyl-6-[(2R)-1-trityloxypropan-2-yl]-1,3-dioxan-4-yl]dodecan-6-one
PubChem CID11094415
Molecular FormulaC72H106O11Si2
Molecular Weight1203.80 g/mol
Exact Mass1202.73
IUPAC Name(2S,3R,4R,8R,9S,10S)-8-hydroxy-2-methoxy-4-[(4-methoxyphenyl)methoxy]-5,5,9-trimethyl-12-phenylmethoxy-3,10-bis(triethylsilyloxy)-1-[(4S,5S,6R)-2,2,5-trimethyl-6-[(2R)-1-trityloxypropan-2-yl]-1,3-dioxan-4-yl]dodecan-6-one
SMILESCC[Si](CC)(CC)O[C@H]([C@H](C[C@@H]1OC(C)(C)O[C@H]([C@H](C)COC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@H]1C)OC)[C@H](OCc1ccc(OC)cc1)C(C)(C)C(=O)C[C@@H](O)[C@H](C)[C@H](CCOCc1ccccc1)O[Si](CC)(CC)CC
InChIInChI=1S/C72H106O11Si2/c1-16-84(17-2,18-3)82-63(46-47-77-51-56-34-26-22-27-35-56)54(8)62(73)48-66(74)70(10,11)69(78-52-57-42-44-61(75-14)45-43-57)68(83-85(19-4,20-5)21-6)65(76-15)49-64-55(9)67(81-71(12,13)80-64)53(7)50-79-72(58-36-28-23-29-37-58,59-38-30-24-31-39-59)60-40-32-25-33-41-60/h22-45,53-55,62-65,67-69,73H,16-21,46-52H2,1-15H3/t53-,54+,55+,62-,63+,64+,65+,67-,68-,69+/m1/s1
InChIKeyJISANTLAUNKYJX-NZHBISFUSA-N
XLogP16.16
TPSA120.37 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds37
Heavy Atoms85
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001203.80
LogP ≤ 516.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze (2S,3R,4R,8R,9S,10S)-8-hydroxy-2-methoxy-4-[(4-methoxyphenyl)methoxy]-5,5,9-trimethyl-12-phenylmethoxy-3,10-bis(triethylsilyloxy)-1-[(4S,5S,6R)-2,2,5-trimethyl-6-[(2R)-1-trityloxypropan-2-yl]-1,3-dioxan-4-yl]dodecan-6-one 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

(4S,5R,6S)-2,2,5-trimethyl-4-[(2R)-5-phenylmethoxypentan-2-yl]-6-(2-trityloxyethyl)-1,3-dioxane
CID 102077008
(2S)-2-[(4S,5S,6R)-6-[(2S)-1-[(4-methoxyphenyl)methoxy]propan-2-yl]-2,2,5-trimethyl-1,3-dioxan-4-yl]pentan-3-ol
CID 11315402
(2R)-2-[(4S,5R,6S)-6-[(2S,4R)-5-[(4-methoxyphenyl)methoxy]-4-methylpentan-2-yl]-2,2,5-trimethyl-1,3-dioxan-4-yl]propanoic acid
CID 11502718
(5S,6R,7R,8R)-7-[tert-butyl(dimethyl)silyl]oxy-6-methyl-8-[(4R,5R,6S)-2,2,5-trimethyl-6-[(2S)-1-phenylmethoxypropan-2-yl]-1,3-dioxan-4-yl]non-1-en-5-ol
CID 71697287
methyl (3S,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-7-[(4-methoxyphenyl)methoxy]-2,2,4-trimethylheptanoate
CID 52951078
prop-2-enyl (2R,3S,4S,5R,6S,7R,8E,10S,13S,14R,15S,16S,17S,18E,20S,21Z)-2,7,17-tris[[tert-butyl(dimethyl)silyl]oxy]-13-hydroxy-3-methoxy-16-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]-15-[(4-methoxyphenyl)methoxy]-4,6,8,10,14,18,20-heptamethyl-11-oxo-5-triethylsilyloxytricosa-8,18,21-trienoate
CID 12000209
(3S)-1-[(4R,5S)-5-[(2R,3R,5S)-6-[tert-butyl(diphenyl)silyl]oxy-2-[(4-methoxyphenyl)methoxy]-3,5-dimethylhexyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methyl-6-trimethylsilylhex-5-yn-1-one
CID 134866694
triethyl-[(3R,4S)-1-[(4-methoxyphenyl)methoxy]-4-methylhex-5-yn-3-yl]oxysilane
CID 11013916
ethyl (E,4R,5S,6S,9R,10S,11R,12R)-5,9,11-tris(methoxymethoxy)-14-[(4-methoxyphenyl)methoxy]-4,6,10,12-tetramethyltetradec-2-enoate
CID 11802084
(2S,3S,4S,5S)-2,4-dimethyl-7-phenylmethoxy-5-triethylsilyloxyheptane-1,3-diol
CID 10927398
1-methoxy-4-[(3-prop-2-enoxy-4-trityloxybutoxy)methyl]benzene
CID 22177536
(4R,5S,6S)-6-[(4R,5S,6S)-5-[(4-methoxyphenyl)methoxy]-6-[(2R)-4-[(4-methoxyphenyl)methoxy]butan-2-yl]-2,2-dimethyl-1,3-dioxan-4-yl]-5-methylhept-1-en-4-ol
CID 102094772

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4R,8R,9S,10S)-8-hydroxy-2-methoxy-4-[(4-methoxyphenyl)methoxy]-5,5,9-trimethyl-12-phenylmethoxy-3,10-bis(triethylsilyloxy)-1-[(4S,5S,6R)-2,2,5-trimethyl-6-[(2R)-1-trityloxypropan-2-yl]-1,3-dioxan-4-yl]dodecan-6-one?
The IUPAC name of (2S,3R,4R,8R,9S,10S)-8-hydroxy-2-methoxy-4-[(4-methoxyphenyl)methoxy]-5,5,9-trimethyl-12-phenylmethoxy-3,10-bis(triethylsilyloxy)-1-[(4S,5S,6R)-2,2,5-trimethyl-6-[(2R)-1-trityloxypropan-2-yl]-1,3-dioxan-4-yl]dodecan-6-one (CID 11094415) is (2S,3R,4R,8R,9S,10S)-8-hydroxy-2-methoxy-4-[(4-methoxyphenyl)methoxy]-5,5,9-trimethyl-12-phenylmethoxy-3,10-bis(triethylsilyloxy)-1-[(4S,5S,6R)-2,2,5-trimethyl-6-[(2R)-1-trityloxypropan-2-yl]-1,3-dioxan-4-yl]dodecan-6-one.
What is the SMILES notation for (2S,3R,4R,8R,9S,10S)-8-hydroxy-2-methoxy-4-[(4-methoxyphenyl)methoxy]-5,5,9-trimethyl-12-phenylmethoxy-3,10-bis(triethylsilyloxy)-1-[(4S,5S,6R)-2,2,5-trimethyl-6-[(2R)-1-trityloxypropan-2-yl]-1,3-dioxan-4-yl]dodecan-6-one?
The canonical SMILES for (2S,3R,4R,8R,9S,10S)-8-hydroxy-2-methoxy-4-[(4-methoxyphenyl)methoxy]-5,5,9-trimethyl-12-phenylmethoxy-3,10-bis(triethylsilyloxy)-1-[(4S,5S,6R)-2,2,5-trimethyl-6-[(2R)-1-trityloxypropan-2-yl]-1,3-dioxan-4-yl]dodecan-6-one is CC[Si](CC)(CC)O[C@H]([C@H](C[C@@H]1OC(C)(C)O[C@H]([C@H](C)COC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@H]1C)OC)[C@H](OCc1ccc(OC)cc1)C(C)(C)C(=O)C[C@@H](O)[C@H](C)[C@H](CCOCc1ccccc1)O[Si](CC)(CC)CC.
What is the InChIKey of (2S,3R,4R,8R,9S,10S)-8-hydroxy-2-methoxy-4-[(4-methoxyphenyl)methoxy]-5,5,9-trimethyl-12-phenylmethoxy-3,10-bis(triethylsilyloxy)-1-[(4S,5S,6R)-2,2,5-trimethyl-6-[(2R)-1-trityloxypropan-2-yl]-1,3-dioxan-4-yl]dodecan-6-one?
The InChIKey is JISANTLAUNKYJX-NZHBISFUSA-N. The full InChI is InChI=1S/C72H106O11Si2/c1-16-84(17-2,18-3)82-63(46-47-77-51-56-34-26-22-27-35-56)54(8)62(73)48-66(74)70(10,11)69(78-52-57-42-44-61(75-14)45-43-57)68(83-85(19-4,20-5)21-6)65(76-15)49-64-55(9)67(81-71(12,13)80-64)53(7)50-79-72(58-36-28-23-29-37-58,59-38-30-24-31-39-59)60-40-32-25-33-41-60/h22-45,53-55,62-65,67-69,73H,16-21,46-52H2,1-15H3/t53-,54+,55+,62-,63+,64+,65+,67-,68-,69+/m1/s1.
What are the key properties of (2S,3R,4R,8R,9S,10S)-8-hydroxy-2-methoxy-4-[(4-methoxyphenyl)methoxy]-5,5,9-trimethyl-12-phenylmethoxy-3,10-bis(triethylsilyloxy)-1-[(4S,5S,6R)-2,2,5-trimethyl-6-[(2R)-1-trityloxypropan-2-yl]-1,3-dioxan-4-yl]dodecan-6-one?
(2S,3R,4R,8R,9S,10S)-8-hydroxy-2-methoxy-4-[(4-methoxyphenyl)methoxy]-5,5,9-trimethyl-12-phenylmethoxy-3,10-bis(triethylsilyloxy)-1-[(4S,5S,6R)-2,2,5-trimethyl-6-[(2R)-1-trityloxypropan-2-yl]-1,3-dioxan-4-yl]dodecan-6-one has a molecular weight of 1203.80 g/mol, XLogP of 16.16, 37 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4R,8R,9S,10S)-8-hydroxy-2-methoxy-4-[(4-methoxyphenyl)methoxy]-5,5,9-trimethyl-12-phenylmethoxy-3,10-bis(triethylsilyloxy)-1-[(4S,5S,6R)-2,2,5-trimethyl-6-[(2R)-1-trityloxypropan-2-yl]-1,3-dioxan-4-yl]dodecan-6-one is sourced from PubChem (CID 11094415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).