(2R,3R,4S,5R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methoxy-5-triethylsilyloxyoxane-3,4-diol

C19H42O6Si2 — CID 71607179

IUPAC(2R,3R,4S,5R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methoxy-5-triethylsilyloxyoxane-3,4-diol
SMILESCC[Si](CC)(CC)O[C@H]1[C@@H](OC)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H]1O
InChIInChI=1S/C19H42O6Si2/c1-10-27(11-2,12-3)25-17-16(21)15(20)14(24-18(17)22-7)13-23-26(8,9)19(4,5)6/h14-18,20-21H,10-13H2,1-9H3/t14-,15+,16+,17-,18+/m1/s1
InChIKeyHRMZMTSPFCUWMM-ICUGJSFKSA-N
MW422.71 g/mol
LogP3.49
Rot. Bonds9

About (2R,3R,4S,5R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methoxy-5-triethylsilyloxyoxane-3,4-diol

(2R,3R,4S,5R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methoxy-5-triethylsilyloxyoxane-3,4-diol (PubChem CID 71607179) has the molecular formula C19H42O6Si2 and a molecular weight of 422.71 g/mol. Its IUPAC name is (2R,3R,4S,5R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methoxy-5-triethylsilyloxyoxane-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4S,5R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methoxy-5-triethylsilyloxyoxane-3,4-diol
PubChem CID71607179
Molecular FormulaC19H42O6Si2
Molecular Weight422.71 g/mol
Exact Mass422.25
IUPAC Name(2R,3R,4S,5R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methoxy-5-triethylsilyloxyoxane-3,4-diol
SMILESCC[Si](CC)(CC)O[C@H]1[C@@H](OC)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H]1O
InChIInChI=1S/C19H42O6Si2/c1-10-27(11-2,12-3)25-17-16(21)15(20)14(24-18(17)22-7)13-23-26(8,9)19(4,5)6/h14-18,20-21H,10-13H2,1-9H3/t14-,15+,16+,17-,18+/m1/s1
InChIKeyHRMZMTSPFCUWMM-ICUGJSFKSA-N
XLogP3.49
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.71
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2R,3S,4S,5R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methoxyoxane-3,5-diol
CID 101200293
(2R,4S,5S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxane-2,3,4,5-tetrol
CID 132936006
(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-methoxy-4,5-bis(triethylsilyloxy)oxan-3-ol
CID 132991541
[(2R,3R,4S,5R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-6-methoxy-5-tetradecanoyloxyoxan-4-yl] tetradecanoate
CID 139878339
tert-butyl-[[(2R,3R,4R,5S)-5-[[(2S,3R,4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dimethoxyoxolan-2-yl]methoxy]-3,4-dimethoxyoxolan-2-yl]methoxy]-dimethylsilane
CID 71502014
(2R,3S,4S,5R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methoxy-4-phenylmethoxyoxane-3,5-diol
CID 102125850
[(2R,3S,4S,5R,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl] 2,2-dimethylpropanoate
CID 10992495
(2S,3S,4S,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methoxy-4-(1-phenylprop-2-ynoxy)oxolan-3-ol
CID 174923210
[(2S,3R,4S,5S)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-3-yl]oxy-tert-butyl-dimethylsilane
CID 57337579
2-[(2S,3R,4R,5R)-5-methoxy-4-triethylsilyloxy-2-(triethylsilyloxymethyl)oxolan-3-yl]acetaldehyde
CID 102362334
methyl (6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4,5-trihydroxyoxane-2-carboxylate
CID 59949901
[(3R,6S)-3,4,5-triacetyloxy-6-[(3S,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,5-dihydroxy-6-methoxyoxan-4-yl]oxyoxan-2-yl]methyl acetate
CID 134837855

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methoxy-5-triethylsilyloxyoxane-3,4-diol?
The IUPAC name of (2R,3R,4S,5R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methoxy-5-triethylsilyloxyoxane-3,4-diol (CID 71607179) is (2R,3R,4S,5R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methoxy-5-triethylsilyloxyoxane-3,4-diol.
What is the SMILES notation for (2R,3R,4S,5R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methoxy-5-triethylsilyloxyoxane-3,4-diol?
The canonical SMILES for (2R,3R,4S,5R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methoxy-5-triethylsilyloxyoxane-3,4-diol is CC[Si](CC)(CC)O[C@H]1[C@@H](OC)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H]1O.
What is the InChIKey of (2R,3R,4S,5R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methoxy-5-triethylsilyloxyoxane-3,4-diol?
The InChIKey is HRMZMTSPFCUWMM-ICUGJSFKSA-N. The full InChI is InChI=1S/C19H42O6Si2/c1-10-27(11-2,12-3)25-17-16(21)15(20)14(24-18(17)22-7)13-23-26(8,9)19(4,5)6/h14-18,20-21H,10-13H2,1-9H3/t14-,15+,16+,17-,18+/m1/s1.
What are the key properties of (2R,3R,4S,5R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methoxy-5-triethylsilyloxyoxane-3,4-diol?
(2R,3R,4S,5R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methoxy-5-triethylsilyloxyoxane-3,4-diol has a molecular weight of 422.71 g/mol, XLogP of 3.49, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methoxy-5-triethylsilyloxyoxane-3,4-diol is sourced from PubChem (CID 71607179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).