(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

C29H56O6Si — CID 14704730

IUPAC(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
SMILESC[C@@H]1[C@@H]([C@H](C)CO)OC(C)(C)O[C@H]1C[C@@H]1CC[C@@](C)([C@H]2CC[C@@](C)([C@@H](C)O[Si](C)(C)C(C)(C)C)O2)O1
InChIInChI=1S/C29H56O6Si/c1-19(18-30)25-20(2)23(32-27(7,8)34-25)17-22-13-15-29(10,31-22)24-14-16-28(9,33-24)21(3)35-36(11,12)26(4,5)6/h19-25,30H,13-18H2,1-12H3/t19-,20+,21-,22+,23+,24-,25-,28+,29+/m1/s1
InChIKeyXVSZRTQUYDALOZ-VCVKFFIUSA-N
MW528.85 g/mol
LogP6.45
Rot. Bonds8

About (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

(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 (PubChem CID 14704730) has the molecular formula C29H56O6Si and a molecular weight of 528.85 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID14704730
Molecular FormulaC29H56O6Si
Molecular Weight528.85 g/mol
Exact Mass528.38
IUPAC Name(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
SMILESC[C@@H]1[C@@H]([C@H](C)CO)OC(C)(C)O[C@H]1C[C@@H]1CC[C@@](C)([C@H]2CC[C@@](C)([C@@H](C)O[Si](C)(C)C(C)(C)C)O2)O1
InChIInChI=1S/C29H56O6Si/c1-19(18-30)25-20(2)23(32-27(7,8)34-25)17-22-13-15-29(10,31-22)24-14-16-28(9,33-24)21(3)35-36(11,12)26(4,5)6/h19-25,30H,13-18H2,1-12H3/t19-,20+,21-,22+,23+,24-,25-,28+,29+/m1/s1
InChIKeyXVSZRTQUYDALOZ-VCVKFFIUSA-N
XLogP6.45
TPSA66.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.85
LogP ≤ 56.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (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 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,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
(1R)-1-[(2S,5R)-5-[(2S,5S,9R)-2,9-dimethyl-1,10-dioxaspiro[4.5]decan-2-yl]-2-methyloxolan-2-yl]ethane-1,2-diol
CID 14166354
[(2S,4R,5R)-5-[(2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl]-4-(oxan-2-yloxy)oxolan-2-yl]methanol
CID 15981859
(1S,2S,3R,4S,5R)-5-[(2R,3S,4R)-3-bromo-2,4-dimethyloxolan-2-yl]-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,4-dimethyl-3-triethylsilyloxy-5-trimethylsilyloxypentan-1-ol
CID 17755165
(2S,3S,4R,5R)-6-[tert-butyl(dimethyl)silyl]oxy-1-[(2S,5S)-5-[(2R,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methyloxolan-2-yl]-5-methyloxolan-2-yl]-3,5-dimethylhexane-2,4-diol
CID 52920666
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
(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
(1S,2S,3S,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 53473909

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is C[C@@H]1[C@@H]([C@H](C)CO)OC(C)(C)O[C@H]1C[C@@H]1CC[C@@](C)([C@H]2CC[C@@](C)([C@@H](C)O[Si](C)(C)C(C)(C)C)O2)O1.
What is the InChIKey of (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?
The InChIKey is XVSZRTQUYDALOZ-VCVKFFIUSA-N. The full InChI is InChI=1S/C29H56O6Si/c1-19(18-30)25-20(2)23(32-27(7,8)34-25)17-22-13-15-29(10,31-22)24-14-16-28(9,33-24)21(3)35-36(11,12)26(4,5)6/h19-25,30H,13-18H2,1-12H3/t19-,20+,21-,22+,23+,24-,25-,28+,29+/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 528.85 g/mol, XLogP of 6.45, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 14704730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).