(2R,4S,5S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxane-2,3,4,5-tetrol

C12H26O6Si — CID 132936006

IUPAC(2R,4S,5S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxane-2,3,4,5-tetrol
SMILESCC(C)(C)[Si](C)(C)OCC1O[C@@H](O)C(O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C12H26O6Si/c1-12(2,3)19(4,5)17-6-7-8(13)9(14)10(15)11(16)18-7/h7-11,13-16H,6H2,1-5H3/t7?,8-,9+,10?,11-/m1/s1
InChIKeyAIJBYEYYSZEZMQ-ACWRHBLHSA-N
MW294.42 g/mol
LogP-0.19
Rot. Bonds3

About (2R,4S,5S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxane-2,3,4,5-tetrol

(2R,4S,5S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxane-2,3,4,5-tetrol (PubChem CID 132936006) has the molecular formula C12H26O6Si and a molecular weight of 294.42 g/mol. Its IUPAC name is (2R,4S,5S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxane-2,3,4,5-tetrol.

Molecular Properties

Compound Name(2R,4S,5S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxane-2,3,4,5-tetrol
PubChem CID132936006
Molecular FormulaC12H26O6Si
Molecular Weight294.42 g/mol
Exact Mass294.15
IUPAC Name(2R,4S,5S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxane-2,3,4,5-tetrol
SMILESCC(C)(C)[Si](C)(C)OCC1O[C@@H](O)C(O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C12H26O6Si/c1-12(2,3)19(4,5)17-6-7-8(13)9(14)10(15)11(16)18-7/h7-11,13-16H,6H2,1-5H3/t7?,8-,9+,10?,11-/m1/s1
InChIKeyAIJBYEYYSZEZMQ-ACWRHBLHSA-N
XLogP-0.19
TPSA99.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 5-0.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-[(2-methylpropan-2-yl)oxymethyl]oxane-2,3,4,5-tetrol
CID 90907126
methyl (6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4,5-trihydroxyoxane-2-carboxylate
CID 59949901
[(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,6R)-6-(aminooxymethyl)oxane-2,3,4,5-tetrol
CID 156617029
(2S,3S,4S,5S,6R)-6-(methoxymethyl)oxane-2,3,4,5-tetrol
CID 26176683
(2R,3R,4S,5R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methoxy-5-triethylsilyloxyoxane-3,4-diol
CID 71607179
(2R,3R,4S,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-phenyloxolane-3,4-diol
CID 54754367
(1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31S,33R,35R,36S,38R,40R,41R,42R,43R,44R,45R,46R,47R,48R,49R,50R,51R,53R,55R,56R)-5,10,15,20,25,30,35,40-octakis[[tert-butyl(dimethyl)silyl]oxymethyl]-2,4,7,9,12,14,17,19,22,24,27,29,32,34,37,39-hexadecaoxanonacyclo[36.2.2.23,6.28,11.213,16.218,21.223,26.228,31.233,36]hexapentacontane-41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56-hexadecol
CID 134081361
(3aS,4R,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-ol
CID 71314364
(2R,3S,4S,5R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methoxyoxane-3,5-diol
CID 101200293
(2S,3R,4R,5R)-5-(methylsulfanyloxymethyl)oxolane-2,3,4-triol
CID 69405566
(3aR,4R,7R,7aR)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-iodo-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-ol
CID 23659967

Frequently Asked Questions

What is the IUPAC name of (2R,4S,5S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxane-2,3,4,5-tetrol?
The IUPAC name of (2R,4S,5S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxane-2,3,4,5-tetrol (CID 132936006) is (2R,4S,5S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxane-2,3,4,5-tetrol.
What is the SMILES notation for (2R,4S,5S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxane-2,3,4,5-tetrol?
The canonical SMILES for (2R,4S,5S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxane-2,3,4,5-tetrol is CC(C)(C)[Si](C)(C)OCC1O[C@@H](O)C(O)[C@@H](O)[C@@H]1O.
What is the InChIKey of (2R,4S,5S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxane-2,3,4,5-tetrol?
The InChIKey is AIJBYEYYSZEZMQ-ACWRHBLHSA-N. The full InChI is InChI=1S/C12H26O6Si/c1-12(2,3)19(4,5)17-6-7-8(13)9(14)10(15)11(16)18-7/h7-11,13-16H,6H2,1-5H3/t7?,8-,9+,10?,11-/m1/s1.
What are the key properties of (2R,4S,5S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxane-2,3,4,5-tetrol?
(2R,4S,5S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxane-2,3,4,5-tetrol has a molecular weight of 294.42 g/mol, XLogP of -0.19, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S,5S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxane-2,3,4,5-tetrol is sourced from PubChem (CID 132936006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).