(2S,3R,4R,5R,6S)-2-methyl-6-trimethylsilyloxyoxane-3,4,5-triol

C9H20O5Si — CID 100913639

IUPAC(2S,3R,4R,5R,6S)-2-methyl-6-trimethylsilyloxyoxane-3,4,5-triol
SMILESC[C@@H]1O[C@@H](O[Si](C)(C)C)[C@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C9H20O5Si/c1-5-6(10)7(11)8(12)9(13-5)14-15(2,3)4/h5-12H,1-4H3/t5-,6-,7+,8+,9-/m0/s1
InChIKeyJJWKYZOFMDXOSV-ABXGFROZSA-N
MW236.34 g/mol
LogP-0.33
Rot. Bonds2

About (2S,3R,4R,5R,6S)-2-methyl-6-trimethylsilyloxyoxane-3,4,5-triol

(2S,3R,4R,5R,6S)-2-methyl-6-trimethylsilyloxyoxane-3,4,5-triol (PubChem CID 100913639) has the molecular formula C9H20O5Si and a molecular weight of 236.34 g/mol. Its IUPAC name is (2S,3R,4R,5R,6S)-2-methyl-6-trimethylsilyloxyoxane-3,4,5-triol.

Molecular Properties

Compound Name(2S,3R,4R,5R,6S)-2-methyl-6-trimethylsilyloxyoxane-3,4,5-triol
PubChem CID100913639
Molecular FormulaC9H20O5Si
Molecular Weight236.34 g/mol
Exact Mass236.11
IUPAC Name(2S,3R,4R,5R,6S)-2-methyl-6-trimethylsilyloxyoxane-3,4,5-triol
SMILESC[C@@H]1O[C@@H](O[Si](C)(C)C)[C@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C9H20O5Si/c1-5-6(10)7(11)8(12)9(13-5)14-15(2,3)4/h5-12H,1-4H3/t5-,6-,7+,8+,9-/m0/s1
InChIKeyJJWKYZOFMDXOSV-ABXGFROZSA-N
XLogP-0.33
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 5-0.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2R,3R,5S)-2-methoxy-6-methyloxane-3,4,5-triol
CID 155602482
(2S,3R,4R,5S,6R)-2-methoxy-6-methyloxane-3,4,5-triol
CID 12904923
(2R,5R)-2-methoxy-6-methyloxane-3,4,5-triol
CID 59892948
(2R,3S,4S,5S)-2-methyl-6-propan-2-yloxyoxane-3,4,5-triol
CID 171600108
(2S,3R,4R,5S,6R)-2-methyl-6-[(2-methylpropan-2-yl)oxy]oxane-3,4,5-triol
CID 158611097
(2R,3R,5S)-2,6-dimethyloxane-3,4,5-triol
CID 90181496
(2S,3S,5R)-2-(aminomethoxy)-6-methyloxane-3,4,5-triol
CID 90276853
(2R,3R,4S,5R,6R)-6-methyl-3-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxane-2,4,5-triol
CID 91860100
(3R,4R,5R,6S)-6-methyl-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxane-2,4,5-triol
CID 91848231
(3S,5R)-2-[(3R,5S)-4,5-dihydroxy-2,6-dimethyloxan-3-yl]oxy-6-methyloxane-3,4,5-triol
CID 121354836
(2S,3S,5R)-2-(aminomethoxy)-6-methyloxane-3,4,5-triol;methane
CID 158281712
2-methyl-6-(2-sulfanylethoxy)oxane-3,4,5-triol
CID 122463656

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4R,5R,6S)-2-methyl-6-trimethylsilyloxyoxane-3,4,5-triol?
The IUPAC name of (2S,3R,4R,5R,6S)-2-methyl-6-trimethylsilyloxyoxane-3,4,5-triol (CID 100913639) is (2S,3R,4R,5R,6S)-2-methyl-6-trimethylsilyloxyoxane-3,4,5-triol.
What is the SMILES notation for (2S,3R,4R,5R,6S)-2-methyl-6-trimethylsilyloxyoxane-3,4,5-triol?
The canonical SMILES for (2S,3R,4R,5R,6S)-2-methyl-6-trimethylsilyloxyoxane-3,4,5-triol is C[C@@H]1O[C@@H](O[Si](C)(C)C)[C@H](O)[C@H](O)[C@H]1O.
What is the InChIKey of (2S,3R,4R,5R,6S)-2-methyl-6-trimethylsilyloxyoxane-3,4,5-triol?
The InChIKey is JJWKYZOFMDXOSV-ABXGFROZSA-N. The full InChI is InChI=1S/C9H20O5Si/c1-5-6(10)7(11)8(12)9(13-5)14-15(2,3)4/h5-12H,1-4H3/t5-,6-,7+,8+,9-/m0/s1.
What are the key properties of (2S,3R,4R,5R,6S)-2-methyl-6-trimethylsilyloxyoxane-3,4,5-triol?
(2S,3R,4R,5R,6S)-2-methyl-6-trimethylsilyloxyoxane-3,4,5-triol has a molecular weight of 236.34 g/mol, XLogP of -0.33, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4R,5R,6S)-2-methyl-6-trimethylsilyloxyoxane-3,4,5-triol is sourced from PubChem (CID 100913639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).