tert-butyl 2-[(2R,3R,4S,5R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-3-methoxy-6-[(2S)-1-methoxypropan-2-yl]-5-methyloxan-2-yl]acetate

C23H46O7Si — CID 10412037

IUPACtert-butyl 2-[(2R,3R,4S,5R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-3-methoxy-6-[(2S)-1-methoxypropan-2-yl]-5-methyloxan-2-yl]acetate
SMILESCOC[C@H](C)[C@@H]1O[C@](O)(CC(=O)OC(C)(C)C)[C@H](OC)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1C
InChIInChI=1S/C23H46O7Si/c1-15(14-26-9)18-16(2)19(30-31(11,12)22(6,7)8)20(27-10)23(25,29-18)13-17(24)28-21(3,4)5/h15-16,18-20,25H,13-14H2,1-12H3/t15-,16+,18-,19-,20+,23+/m0/s1
InChIKeyOWSLYDVTGRTMKY-HFNCSVEBSA-N
MW462.70 g/mol
LogP4.13
Rot. Bonds8

About tert-butyl 2-[(2R,3R,4S,5R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-3-methoxy-6-[(2S)-1-methoxypropan-2-yl]-5-methyloxan-2-yl]acetate

tert-butyl 2-[(2R,3R,4S,5R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-3-methoxy-6-[(2S)-1-methoxypropan-2-yl]-5-methyloxan-2-yl]acetate (PubChem CID 10412037) has the molecular formula C23H46O7Si and a molecular weight of 462.70 g/mol. Its IUPAC name is tert-butyl 2-[(2R,3R,4S,5R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-3-methoxy-6-[(2S)-1-methoxypropan-2-yl]-5-methyloxan-2-yl]acetate.

Molecular Properties

Compound Nametert-butyl 2-[(2R,3R,4S,5R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-3-methoxy-6-[(2S)-1-methoxypropan-2-yl]-5-methyloxan-2-yl]acetate
PubChem CID10412037
Molecular FormulaC23H46O7Si
Molecular Weight462.70 g/mol
Exact Mass462.30
IUPAC Nametert-butyl 2-[(2R,3R,4S,5R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-3-methoxy-6-[(2S)-1-methoxypropan-2-yl]-5-methyloxan-2-yl]acetate
SMILESCOC[C@H](C)[C@@H]1O[C@](O)(CC(=O)OC(C)(C)C)[C@H](OC)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1C
InChIInChI=1S/C23H46O7Si/c1-15(14-26-9)18-16(2)19(30-31(11,12)22(6,7)8)20(27-10)23(25,29-18)13-17(24)28-21(3,4)5/h15-16,18-20,25H,13-14H2,1-12H3/t15-,16+,18-,19-,20+,23+/m0/s1
InChIKeyOWSLYDVTGRTMKY-HFNCSVEBSA-N
XLogP4.13
TPSA83.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.70
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze tert-butyl 2-[(2R,3R,4S,5R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-3-methoxy-6-[(2S)-1-methoxypropan-2-yl]-5-methyloxan-2-yl]acetate 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

3-alpha-Mycarosylerythronolide B
CID 441108
Antibiotic A-31438
CID 308371
3-O-(alpha-L-oleandrosyl)erythronolide B
CID 10218311
(1R,3R,6R,7S,8S,9R,10R,12R,13S,17S)-3-ethyl-7,9,10-trihydroxy-2,2,6,8,10,12,15,15,17-nonamethyl-4,14,16-trioxabicyclo[11.3.1]heptadecan-5-one
CID 122177898
3-O-Mycarosylerythronolide B
CID 156580401
Scleroketide B
CID 170990578
ethyl 3-fluoro-2-[(3R,4S,5R,6R)-3,4,5-tributoxy-6-(butoxymethyl)-2-hydroxyoxan-2-yl]propanoate
CID 71088529
ethyl (2S)-2-[(2S,4R,6R)-6-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-2-hydroxy-4-tri(propan-2-yl)silyloxyoxan-2-yl]propanoate
CID 11353518
ethyl (2R)-2-[(2S,4R,6R)-6-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-2-hydroxy-4-tri(propan-2-yl)silyloxyoxan-2-yl]propanoate
CID 11753319
(1S,2R,4R,5R,9S,10R,13R,14R,15R,19S,20S)-13-ethyl-4,14-dihydroxy-2,4,7,7,10,14,17,17,19,20-decamethyl-6,8,12,16,18-pentaoxatricyclo[13.3.1.15,9]icosan-11-one
CID 14432448
2-[(2S,3S,4S,6S)-6-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(1R,2R)-2-methylcyclopropyl]ethyl]-3-methyl-4-[(2S,3R,4S,5R)-3,4,5-trimethoxyoxan-2-yl]oxyoxan-2-yl]acetic acid
CID 24862302
(2R,3S,5R,6R)-3,6,9-tris[[tert-butyl(dimethyl)silyl]oxy]-5-methoxy-2,6-dimethylnonanoic acid
CID 54577710

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[(2R,3R,4S,5R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-3-methoxy-6-[(2S)-1-methoxypropan-2-yl]-5-methyloxan-2-yl]acetate?
The IUPAC name of tert-butyl 2-[(2R,3R,4S,5R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-3-methoxy-6-[(2S)-1-methoxypropan-2-yl]-5-methyloxan-2-yl]acetate (CID 10412037) is tert-butyl 2-[(2R,3R,4S,5R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-3-methoxy-6-[(2S)-1-methoxypropan-2-yl]-5-methyloxan-2-yl]acetate.
What is the SMILES notation for tert-butyl 2-[(2R,3R,4S,5R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-3-methoxy-6-[(2S)-1-methoxypropan-2-yl]-5-methyloxan-2-yl]acetate?
The canonical SMILES for tert-butyl 2-[(2R,3R,4S,5R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-3-methoxy-6-[(2S)-1-methoxypropan-2-yl]-5-methyloxan-2-yl]acetate is COC[C@H](C)[C@@H]1O[C@](O)(CC(=O)OC(C)(C)C)[C@H](OC)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1C.
What is the InChIKey of tert-butyl 2-[(2R,3R,4S,5R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-3-methoxy-6-[(2S)-1-methoxypropan-2-yl]-5-methyloxan-2-yl]acetate?
The InChIKey is OWSLYDVTGRTMKY-HFNCSVEBSA-N. The full InChI is InChI=1S/C23H46O7Si/c1-15(14-26-9)18-16(2)19(30-31(11,12)22(6,7)8)20(27-10)23(25,29-18)13-17(24)28-21(3,4)5/h15-16,18-20,25H,13-14H2,1-12H3/t15-,16+,18-,19-,20+,23+/m0/s1.
What are the key properties of tert-butyl 2-[(2R,3R,4S,5R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-3-methoxy-6-[(2S)-1-methoxypropan-2-yl]-5-methyloxan-2-yl]acetate?
tert-butyl 2-[(2R,3R,4S,5R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-3-methoxy-6-[(2S)-1-methoxypropan-2-yl]-5-methyloxan-2-yl]acetate has a molecular weight of 462.70 g/mol, XLogP of 4.13, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[(2R,3R,4S,5R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-3-methoxy-6-[(2S)-1-methoxypropan-2-yl]-5-methyloxan-2-yl]acetate is sourced from PubChem (CID 10412037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).