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

C8H18O5Si — CID 45093703

IUPAC(3R,4S,5R)-2-trimethylsilyloxyoxane-3,4,5-triol
SMILESC[Si](C)(C)OC1OC[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C8H18O5Si/c1-14(2,3)13-8-7(11)6(10)5(9)4-12-8/h5-11H,4H2,1-3H3/t5-,6+,7-,8?/m1/s1
InChIKeyBKVGDLRCZNMWCW-MOMMNUENSA-N
MW222.31 g/mol
LogP-0.72
Rot. Bonds2

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

(3R,4S,5R)-2-trimethylsilyloxyoxane-3,4,5-triol (PubChem CID 45093703) has the molecular formula C8H18O5Si and a molecular weight of 222.31 g/mol. Its IUPAC name is (3R,4S,5R)-2-trimethylsilyloxyoxane-3,4,5-triol.

Molecular Properties

Compound Name(3R,4S,5R)-2-trimethylsilyloxyoxane-3,4,5-triol
PubChem CID45093703
Molecular FormulaC8H18O5Si
Molecular Weight222.31 g/mol
Exact Mass222.09
IUPAC Name(3R,4S,5R)-2-trimethylsilyloxyoxane-3,4,5-triol
SMILESC[Si](C)(C)OC1OC[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C8H18O5Si/c1-14(2,3)13-8-7(11)6(10)5(9)4-12-8/h5-11H,4H2,1-3H3/t5-,6+,7-,8?/m1/s1
InChIKeyBKVGDLRCZNMWCW-MOMMNUENSA-N
XLogP-0.72
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 5-0.72
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

(2S,4R,5R)-2-methoxyoxane-3,4,5-triol
CID 24802344
(2R,3S,4S,5R)-2-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxane-3,4,5-triol
CID 156619040
(2R,4S,5S)-2-propan-2-yloxyoxane-3,4,5-triol
CID 163413881
(2R,3S,4S)-2-methoxyoxolane-3,4-diol
CID 130831872
(2R,3R,4S)-2-methoxyoxolane-3,4-diol
CID 14443636
(2R,3S,5S)-2-ethoxyoxane-3,4,5-triol
CID 163545288
2-ethoxyoxane-3,4,5-triol
CID 22495206
(2S,3R,4R,5S)-2-[2-[(2S,3R,4R,5S)-3,4,5-trihydroxyoxan-2-yl]oxypropan-2-yloxy]oxane-3,4,5-triol
CID 90766018
[(2S,3S,4R,5R)-3,4,5-trihydroxyoxan-2-yl] acetate
CID 149251667
(2R,3R,4S,5S)-2-propoxyoxane-3,4,5-triol
CID 130756919
(2R,3R,4S,5R)-2-pentan-3-yloxyoxane-3,4,5-triol
CID 70508112
[(2S,3S,4S)-2,4-bis(trimethylsilyloxy)oxolan-3-yl]oxy-trimethylsilane
CID 91750442

Frequently Asked Questions

What is the IUPAC name of (3R,4S,5R)-2-trimethylsilyloxyoxane-3,4,5-triol?
The IUPAC name of (3R,4S,5R)-2-trimethylsilyloxyoxane-3,4,5-triol (CID 45093703) is (3R,4S,5R)-2-trimethylsilyloxyoxane-3,4,5-triol.
What is the SMILES notation for (3R,4S,5R)-2-trimethylsilyloxyoxane-3,4,5-triol?
The canonical SMILES for (3R,4S,5R)-2-trimethylsilyloxyoxane-3,4,5-triol is C[Si](C)(C)OC1OC[C@@H](O)[C@H](O)[C@H]1O.
What is the InChIKey of (3R,4S,5R)-2-trimethylsilyloxyoxane-3,4,5-triol?
The InChIKey is BKVGDLRCZNMWCW-MOMMNUENSA-N. The full InChI is InChI=1S/C8H18O5Si/c1-14(2,3)13-8-7(11)6(10)5(9)4-12-8/h5-11H,4H2,1-3H3/t5-,6+,7-,8?/m1/s1.
What are the key properties of (3R,4S,5R)-2-trimethylsilyloxyoxane-3,4,5-triol?
(3R,4S,5R)-2-trimethylsilyloxyoxane-3,4,5-triol has a molecular weight of 222.31 g/mol, XLogP of -0.72, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,5R)-2-trimethylsilyloxyoxane-3,4,5-triol is sourced from PubChem (CID 45093703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).