(2R,3R,4S,5R,6R)-6-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxypropyl]-2-methoxy-3,5-dimethyl-2-[(4R,5S)-2,2,5-trimethyl-1,3-dioxolan-4-yl]oxan-4-ol

C24H48O7Si — CID 100999902

IUPAC(2R,3R,4S,5R,6R)-6-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxypropyl]-2-methoxy-3,5-dimethyl-2-[(4R,5S)-2,2,5-trimethyl-1,3-dioxolan-4-yl]oxan-4-ol
SMILESCOC[C@@H](C[C@H]1O[C@@](OC)([C@@H]2OC(C)(C)O[C@H]2C)C(C)[C@@H](O)[C@H]1C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C24H48O7Si/c1-15-19(13-18(14-26-9)31-32(11,12)22(4,5)6)29-24(27-10,16(2)20(15)25)21-17(3)28-23(7,8)30-21/h15-21,25H,13-14H2,1-12H3/t15-,16?,17-,18+,19+,20-,21+,24+/m0/s1
InChIKeyQHVZMTKJEBPDRJ-SOZJVIBUSA-N
MW476.73 g/mol
LogP4.33
Rot. Bonds8

About (2R,3R,4S,5R,6R)-6-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxypropyl]-2-methoxy-3,5-dimethyl-2-[(4R,5S)-2,2,5-trimethyl-1,3-dioxolan-4-yl]oxan-4-ol

(2R,3R,4S,5R,6R)-6-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxypropyl]-2-methoxy-3,5-dimethyl-2-[(4R,5S)-2,2,5-trimethyl-1,3-dioxolan-4-yl]oxan-4-ol (PubChem CID 100999902) has the molecular formula C24H48O7Si and a molecular weight of 476.73 g/mol. Its IUPAC name is (2R,3R,4S,5R,6R)-6-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxypropyl]-2-methoxy-3,5-dimethyl-2-[(4R,5S)-2,2,5-trimethyl-1,3-dioxolan-4-yl]oxan-4-ol.

Molecular Properties

Compound Name(2R,3R,4S,5R,6R)-6-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxypropyl]-2-methoxy-3,5-dimethyl-2-[(4R,5S)-2,2,5-trimethyl-1,3-dioxolan-4-yl]oxan-4-ol
PubChem CID100999902
Molecular FormulaC24H48O7Si
Molecular Weight476.73 g/mol
Exact Mass476.32
IUPAC Name(2R,3R,4S,5R,6R)-6-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxypropyl]-2-methoxy-3,5-dimethyl-2-[(4R,5S)-2,2,5-trimethyl-1,3-dioxolan-4-yl]oxan-4-ol
SMILESCOC[C@@H](C[C@H]1O[C@@](OC)([C@@H]2OC(C)(C)O[C@H]2C)C(C)[C@@H](O)[C@H]1C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C24H48O7Si/c1-15-19(13-18(14-26-9)31-32(11,12)22(4,5)6)29-24(27-10,16(2)20(15)25)21-17(3)28-23(7,8)30-21/h15-21,25H,13-14H2,1-12H3/t15-,16?,17-,18+,19+,20-,21+,24+/m0/s1
InChIKeyQHVZMTKJEBPDRJ-SOZJVIBUSA-N
XLogP4.33
TPSA75.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.73
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (2R,3R,4S,5R,6R)-6-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxypropyl]-2-methoxy-3,5-dimethyl-2-[(4R,5S)-2,2,5-trimethyl-1,3-dioxolan-4-yl]oxan-4-ol with MolForge

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Related Compounds

(1R,2S)-1-[(2R,3R,4S,5R,6R)-6-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxypropyl]-4-hydroxy-2-methoxy-3,5-dimethyloxan-2-yl]propane-1,2-diol
CID 10961103
[(2R,3R,4R,6S,8R,9R,10R,11S)-4,10-bis[[tert-butyl(dimethyl)silyl]oxy]-3,9,11-trimethyl-2-propan-2-yl-1,7-dioxaspiro[5.5]undecan-8-yl]methanol
CID 10962484
(2S,3S,4R,5S,6R)-2-(bromomethyl)-6-[(2S,3S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-4-methylpentan-2-yl]-4-(methoxymethoxy)-5-methyloxan-3-ol
CID 11092474
(1S)-1-[(2S,3R,4R,5S,6S,8R,9R,10R)-4,10-bis[[tert-butyl(dimethyl)silyl]oxy]-3,5,9-trimethyl-8-propan-2-yl-1,7-dioxaspiro[5.5]undecan-2-yl]-3-trimethylsilylprop-2-yn-1-ol
CID 11104127
[(2S,3R,6S,8R,9S)-3-butyl-3-[tert-butyl(dimethyl)silyl]oxy-8-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-9-methyl-1,7-dioxaspiro[5.5]undecan-2-yl]methanol
CID 11214911
(2S,3R,5S)-5-[(1R,2R,3R)-2,5-bis(methoxymethoxy)-3-methyl-1-(2-trimethylsilylethoxymethoxy)pentyl]-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]oxolan-3-ol
CID 11272660
(2R)-2-[(2S,5S)-5-[(2R)-2-hydroxy-1-(2-trimethylsilylethoxymethoxy)propan-2-yl]oxolan-2-yl]propane-1,2-diol
CID 11450963
(2R)-2-[(4R,5S,6S)-6-[[(2S,5S)-5-[(2R,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methyloxolan-2-yl]-5-methyloxolan-2-yl]methyl]-2,2,5-trimethyl-1,3-dioxan-4-yl]propan-1-ol
CID 14704730
[(2S,4R,5R)-5-[(2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl]-4-(oxan-2-yloxy)oxolan-2-yl]methanol
CID 15981859
tert-butyl-[(2R)-2-[(4R,5S,6S)-6-[[(2S,5S)-5-[(2R,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methyloxolan-2-yl]-5-methyloxolan-2-yl]methyl]-2,2,5-trimethyl-1,3-dioxan-4-yl]propoxy]-dimethylsilane
CID 52920732
(1S,2R,3R,4R,5R,6S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,4-dimethyl-6-[(4S,5R,6R)-2,2,5,6-tetramethyl-1,3-dioxan-4-yl]heptane-1,3,5-triol
CID 53473814
(1R,2S,3R,4R)-4-[(4R,5S,6R)-6-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]-2,2,5-trimethyl-1,3-dioxan-4-yl]-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylpentane-1,3-diol
CID 53473906

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5R,6R)-6-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxypropyl]-2-methoxy-3,5-dimethyl-2-[(4R,5S)-2,2,5-trimethyl-1,3-dioxolan-4-yl]oxan-4-ol?
The IUPAC name of (2R,3R,4S,5R,6R)-6-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxypropyl]-2-methoxy-3,5-dimethyl-2-[(4R,5S)-2,2,5-trimethyl-1,3-dioxolan-4-yl]oxan-4-ol (CID 100999902) is (2R,3R,4S,5R,6R)-6-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxypropyl]-2-methoxy-3,5-dimethyl-2-[(4R,5S)-2,2,5-trimethyl-1,3-dioxolan-4-yl]oxan-4-ol.
What is the SMILES notation for (2R,3R,4S,5R,6R)-6-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxypropyl]-2-methoxy-3,5-dimethyl-2-[(4R,5S)-2,2,5-trimethyl-1,3-dioxolan-4-yl]oxan-4-ol?
The canonical SMILES for (2R,3R,4S,5R,6R)-6-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxypropyl]-2-methoxy-3,5-dimethyl-2-[(4R,5S)-2,2,5-trimethyl-1,3-dioxolan-4-yl]oxan-4-ol is COC[C@@H](C[C@H]1O[C@@](OC)([C@@H]2OC(C)(C)O[C@H]2C)C(C)[C@@H](O)[C@H]1C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2R,3R,4S,5R,6R)-6-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxypropyl]-2-methoxy-3,5-dimethyl-2-[(4R,5S)-2,2,5-trimethyl-1,3-dioxolan-4-yl]oxan-4-ol?
The InChIKey is QHVZMTKJEBPDRJ-SOZJVIBUSA-N. The full InChI is InChI=1S/C24H48O7Si/c1-15-19(13-18(14-26-9)31-32(11,12)22(4,5)6)29-24(27-10,16(2)20(15)25)21-17(3)28-23(7,8)30-21/h15-21,25H,13-14H2,1-12H3/t15-,16?,17-,18+,19+,20-,21+,24+/m0/s1.
What are the key properties of (2R,3R,4S,5R,6R)-6-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxypropyl]-2-methoxy-3,5-dimethyl-2-[(4R,5S)-2,2,5-trimethyl-1,3-dioxolan-4-yl]oxan-4-ol?
(2R,3R,4S,5R,6R)-6-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxypropyl]-2-methoxy-3,5-dimethyl-2-[(4R,5S)-2,2,5-trimethyl-1,3-dioxolan-4-yl]oxan-4-ol has a molecular weight of 476.73 g/mol, XLogP of 4.33, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5R,6R)-6-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxypropyl]-2-methoxy-3,5-dimethyl-2-[(4R,5S)-2,2,5-trimethyl-1,3-dioxolan-4-yl]oxan-4-ol is sourced from PubChem (CID 100999902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).