[(4R,6R)-3-[(2R,4R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methyloxan-2-yl]sulfanyl-6-methoxy-2-methyloxan-4-yl]oxy-tert-butyl-dimethylsilane

C31H66O6SSi3 — CID 135022715

IUPAC[(4R,6R)-3-[(2R,4R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methyloxan-2-yl]sulfanyl-6-methoxy-2-methyloxan-4-yl]oxy-tert-butyl-dimethylsilane
SMILESCO[C@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)C(S[C@@H]2C[C@@H](O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(C)O2)C(C)O1
InChIInChI=1S/C31H66O6SSi3/c1-21-27(37-41(17,18)31(9,10)11)23(35-39(13,14)29(3,4)5)20-26(34-21)38-28-22(2)33-25(32-12)19-24(28)36-40(15,16)30(6,7)8/h21-28H,19-20H2,1-18H3/t21?,22?,23-,24-,25-,26-,27?,28?/m1/s1
InChIKeyNVLKXLWRPLGFFU-QLNHEBGISA-N
MW651.19 g/mol
LogP9.18
Rot. Bonds9

About [(4R,6R)-3-[(2R,4R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methyloxan-2-yl]sulfanyl-6-methoxy-2-methyloxan-4-yl]oxy-tert-butyl-dimethylsilane

[(4R,6R)-3-[(2R,4R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methyloxan-2-yl]sulfanyl-6-methoxy-2-methyloxan-4-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 135022715) has the molecular formula C31H66O6SSi3 and a molecular weight of 651.19 g/mol. Its IUPAC name is [(4R,6R)-3-[(2R,4R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methyloxan-2-yl]sulfanyl-6-methoxy-2-methyloxan-4-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(4R,6R)-3-[(2R,4R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methyloxan-2-yl]sulfanyl-6-methoxy-2-methyloxan-4-yl]oxy-tert-butyl-dimethylsilane
PubChem CID135022715
Molecular FormulaC31H66O6SSi3
Molecular Weight651.19 g/mol
Exact Mass650.39
IUPAC Name[(4R,6R)-3-[(2R,4R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methyloxan-2-yl]sulfanyl-6-methoxy-2-methyloxan-4-yl]oxy-tert-butyl-dimethylsilane
SMILESCO[C@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)C(S[C@@H]2C[C@@H](O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(C)O2)C(C)O1
InChIInChI=1S/C31H66O6SSi3/c1-21-27(37-41(17,18)31(9,10)11)23(35-39(13,14)29(3,4)5)20-26(34-21)38-28-22(2)33-25(32-12)19-24(28)36-40(15,16)30(6,7)8/h21-28H,19-20H2,1-18H3/t21?,22?,23-,24-,25-,26-,27?,28?/m1/s1
InChIKeyNVLKXLWRPLGFFU-QLNHEBGISA-N
XLogP9.18
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500651.19
LogP ≤ 59.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze [(4R,6R)-3-[(2R,4R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methyloxan-2-yl]sulfanyl-6-methoxy-2-methyloxan-4-yl]oxy-tert-butyl-dimethylsilane with MolForge

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Launch Full Analysis

Related Compounds

[(4R,6R)-3-[(2S,5S,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methyloxan-2-yl]sulfanyl-6-methoxy-2-methyloxan-4-yl]oxy-tert-butyl-dimethylsilane
CID 135022559
tert-butyl-[(4R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-6-phenylsulfanyloxan-4-yl]oxy-dimethylsilane
CID 135022444
tert-butyl-[(2S,3R,4S,6S)-6-methoxy-4-[(4-methoxyphenyl)methoxy]-2-methyloxan-3-yl]oxy-dimethylsilane
CID 134896322
[(2R,3R,4R,6R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-6-prop-2-ynoxyoxan-4-yl] acetate
CID 100975997
tert-butyl-dimethyl-[(2S,3R,4R,5S,6S)-3,4,5-trimethoxy-6-methyloxan-2-yl]oxysilane
CID 59441458
(2R,3S,4R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-[(2R,3R,4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methyl-6-phenylmethoxyoxan-3-yl]oxy-2-methyloxan-4-ol
CID 24897800
tert-butyl-[(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]oxy-dimethylsilane;tert-butyl-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]oxy-dimethylsilane
CID 158464609
tert-butyl-dimethyl-[(2R,3R,4S,6S)-2-methyl-4-phenylmethoxy-6-phenylsulfanyloxan-3-yl]oxysilane
CID 73292656
tert-butyl-[(2R,3R,4S,6R)-6-[(2R,3R,4S,6S)-6-[(2R,3R,4R,5R,6R)-5-methoxy-2-methyl-4-phenylmethoxy-6-phenylsulfanyloxan-3-yl]oxy-2-methyl-4-phenylmethoxyoxan-3-yl]oxy-2-methyl-4-phenylmethoxyoxan-3-yl]oxy-dimethylsilane
CID 73293157
4-[(2R,4R,5R,6R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methyloxan-2-yl]-2-hydroxy-5-methoxybenzonitrile
CID 139247736
4-[tert-butyl(dimethyl)silyl]oxy-5-methyloxolane-2,3-diol
CID 20612986
(2S,3R,4R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-2,3-dimethyloxan-4-amine
CID 59653325

Frequently Asked Questions

What is the IUPAC name of [(4R,6R)-3-[(2R,4R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methyloxan-2-yl]sulfanyl-6-methoxy-2-methyloxan-4-yl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [(4R,6R)-3-[(2R,4R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methyloxan-2-yl]sulfanyl-6-methoxy-2-methyloxan-4-yl]oxy-tert-butyl-dimethylsilane (CID 135022715) is [(4R,6R)-3-[(2R,4R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methyloxan-2-yl]sulfanyl-6-methoxy-2-methyloxan-4-yl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(4R,6R)-3-[(2R,4R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methyloxan-2-yl]sulfanyl-6-methoxy-2-methyloxan-4-yl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(4R,6R)-3-[(2R,4R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methyloxan-2-yl]sulfanyl-6-methoxy-2-methyloxan-4-yl]oxy-tert-butyl-dimethylsilane is CO[C@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)C(S[C@@H]2C[C@@H](O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(C)O2)C(C)O1.
What is the InChIKey of [(4R,6R)-3-[(2R,4R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methyloxan-2-yl]sulfanyl-6-methoxy-2-methyloxan-4-yl]oxy-tert-butyl-dimethylsilane?
The InChIKey is NVLKXLWRPLGFFU-QLNHEBGISA-N. The full InChI is InChI=1S/C31H66O6SSi3/c1-21-27(37-41(17,18)31(9,10)11)23(35-39(13,14)29(3,4)5)20-26(34-21)38-28-22(2)33-25(32-12)19-24(28)36-40(15,16)30(6,7)8/h21-28H,19-20H2,1-18H3/t21?,22?,23-,24-,25-,26-,27?,28?/m1/s1.
What are the key properties of [(4R,6R)-3-[(2R,4R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methyloxan-2-yl]sulfanyl-6-methoxy-2-methyloxan-4-yl]oxy-tert-butyl-dimethylsilane?
[(4R,6R)-3-[(2R,4R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methyloxan-2-yl]sulfanyl-6-methoxy-2-methyloxan-4-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 651.19 g/mol, XLogP of 9.18, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R,6R)-3-[(2R,4R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methyloxan-2-yl]sulfanyl-6-methoxy-2-methyloxan-4-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 135022715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).