[(2R,3R,4S)-3-[(2S,4S,5R,6R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methyloxan-2-yl]oxy-2-methyl-3,4-dihydro-2H-pyran-4-yl]oxy-tert-butyl-dimethylsilane

C30H62O6Si3 — CID 11478958

IUPAC[(2R,3R,4S)-3-[(2S,4S,5R,6R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methyloxan-2-yl]oxy-2-methyl-3,4-dihydro-2H-pyran-4-yl]oxy-tert-butyl-dimethylsilane
SMILESC[C@H]1OC=C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@H]1C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)O1
InChIInChI=1S/C30H62O6Si3/c1-21-26(23(18-19-31-21)34-37(12,13)28(3,4)5)33-25-20-24(35-38(14,15)29(6,7)8)27(22(2)32-25)36-39(16,17)30(9,10)11/h18-19,21-27H,20H2,1-17H3/t21-,22-,23+,24+,25+,26-,27-/m1/s1
InChIKeyBKEHWKMQGBOOMC-DXJNZMDBSA-N
MW603.08 g/mol
LogP8.61
Rot. Bonds8

About [(2R,3R,4S)-3-[(2S,4S,5R,6R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methyloxan-2-yl]oxy-2-methyl-3,4-dihydro-2H-pyran-4-yl]oxy-tert-butyl-dimethylsilane

[(2R,3R,4S)-3-[(2S,4S,5R,6R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methyloxan-2-yl]oxy-2-methyl-3,4-dihydro-2H-pyran-4-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 11478958) has the molecular formula C30H62O6Si3 and a molecular weight of 603.08 g/mol. Its IUPAC name is [(2R,3R,4S)-3-[(2S,4S,5R,6R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methyloxan-2-yl]oxy-2-methyl-3,4-dihydro-2H-pyran-4-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(2R,3R,4S)-3-[(2S,4S,5R,6R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methyloxan-2-yl]oxy-2-methyl-3,4-dihydro-2H-pyran-4-yl]oxy-tert-butyl-dimethylsilane
PubChem CID11478958
Molecular FormulaC30H62O6Si3
Molecular Weight603.08 g/mol
Exact Mass602.39
IUPAC Name[(2R,3R,4S)-3-[(2S,4S,5R,6R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methyloxan-2-yl]oxy-2-methyl-3,4-dihydro-2H-pyran-4-yl]oxy-tert-butyl-dimethylsilane
SMILESC[C@H]1OC=C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@H]1C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)O1
InChIInChI=1S/C30H62O6Si3/c1-21-26(23(18-19-31-21)34-37(12,13)28(3,4)5)33-25-20-24(35-38(14,15)29(6,7)8)27(22(2)32-25)36-39(16,17)30(9,10)11/h18-19,21-27H,20H2,1-17H3/t21-,22-,23+,24+,25+,26-,27-/m1/s1
InChIKeyBKEHWKMQGBOOMC-DXJNZMDBSA-N
XLogP8.61
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500603.08
LogP ≤ 58.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [(2R,3R,4S)-3-[(2S,4S,5R,6R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methyloxan-2-yl]oxy-2-methyl-3,4-dihydro-2H-pyran-4-yl]oxy-tert-butyl-dimethylsilane with MolForge

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Related Compounds

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CID 11462014
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triethyl-[[(3R,4R)-2-(triethylsilyloxymethyl)-3-[(2S,5S)-3,4,5-tris(triethylsilyloxy)-6-(triethylsilyloxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-4-yl]oxy]silane
CID 162404219
[(2S,3S,4S,5S)-2-methoxy-6-methylidene-3,5-bis(trimethylsilyloxy)oxan-4-yl]oxy-trimethylsilane
CID 11269385
(2S,5R)-2-[[(3S)-4-hydroxy-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-3-yl]oxy]-4-methyl-6-[tri(propan-2-yl)silyloxymethyl]oxane-3,5-diol
CID 54263435
triethyl-[(2S,3R,4S,5R,6R)-2-prop-1-enoxy-3,5-bis(triethylsilyloxy)-6-(triethylsilyloxymethyl)oxan-4-yl]oxysilane
CID 67763208
tert-butyl-dimethyl-[(1R)-5-methyl-6-[(2S,5R)-3,4,5-tributoxy-6-methyloxan-2-yl]oxycyclohex-3-en-1-yl]oxysilane
CID 68223654
tert-butyl-dimethyl-[[(2S,4S,5R,6S)-4,5,6-trimethoxy-3-methylideneoxan-2-yl]methoxy]silane
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CID 89657965
[4,6-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methyloxan-2-yl]methoxy-tert-butyl-dimethylsilane;tert-butyl-[[4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-3,4-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane
CID 91506166
[(2R,3S,4S,5R,6R)-4,5-diacetyloxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-pent-1-enoxyoxan-3-yl] acetate
CID 140146471

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4S)-3-[(2S,4S,5R,6R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methyloxan-2-yl]oxy-2-methyl-3,4-dihydro-2H-pyran-4-yl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [(2R,3R,4S)-3-[(2S,4S,5R,6R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methyloxan-2-yl]oxy-2-methyl-3,4-dihydro-2H-pyran-4-yl]oxy-tert-butyl-dimethylsilane (CID 11478958) is [(2R,3R,4S)-3-[(2S,4S,5R,6R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methyloxan-2-yl]oxy-2-methyl-3,4-dihydro-2H-pyran-4-yl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(2R,3R,4S)-3-[(2S,4S,5R,6R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methyloxan-2-yl]oxy-2-methyl-3,4-dihydro-2H-pyran-4-yl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(2R,3R,4S)-3-[(2S,4S,5R,6R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methyloxan-2-yl]oxy-2-methyl-3,4-dihydro-2H-pyran-4-yl]oxy-tert-butyl-dimethylsilane is C[C@H]1OC=C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@H]1C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)O1.
What is the InChIKey of [(2R,3R,4S)-3-[(2S,4S,5R,6R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methyloxan-2-yl]oxy-2-methyl-3,4-dihydro-2H-pyran-4-yl]oxy-tert-butyl-dimethylsilane?
The InChIKey is BKEHWKMQGBOOMC-DXJNZMDBSA-N. The full InChI is InChI=1S/C30H62O6Si3/c1-21-26(23(18-19-31-21)34-37(12,13)28(3,4)5)33-25-20-24(35-38(14,15)29(6,7)8)27(22(2)32-25)36-39(16,17)30(9,10)11/h18-19,21-27H,20H2,1-17H3/t21-,22-,23+,24+,25+,26-,27-/m1/s1.
What are the key properties of [(2R,3R,4S)-3-[(2S,4S,5R,6R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methyloxan-2-yl]oxy-2-methyl-3,4-dihydro-2H-pyran-4-yl]oxy-tert-butyl-dimethylsilane?
[(2R,3R,4S)-3-[(2S,4S,5R,6R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methyloxan-2-yl]oxy-2-methyl-3,4-dihydro-2H-pyran-4-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 603.08 g/mol, XLogP of 8.61, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,4S)-3-[(2S,4S,5R,6R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methyloxan-2-yl]oxy-2-methyl-3,4-dihydro-2H-pyran-4-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 11478958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).