(2R,3S,4R)-2,3,4,5-tetrahydroxy-1-trimethylsilylpentan-1-one

C8H18O5Si — CID 20638754

IUPAC(2R,3S,4R)-2,3,4,5-tetrahydroxy-1-trimethylsilylpentan-1-one
SMILESC[Si](C)(C)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO
InChIInChI=1S/C8H18O5Si/c1-14(2,3)8(13)7(12)6(11)5(10)4-9/h5-7,9-12H,4H2,1-3H3/t5-,6+,7-/m1/s1
InChIKeyNEJIQDYTEQZSGD-DSYKOEDSSA-N
MW222.31 g/mol
LogP-1.49
Rot. Bonds5

About (2R,3S,4R)-2,3,4,5-tetrahydroxy-1-trimethylsilylpentan-1-one

(2R,3S,4R)-2,3,4,5-tetrahydroxy-1-trimethylsilylpentan-1-one (PubChem CID 20638754) has the molecular formula C8H18O5Si and a molecular weight of 222.31 g/mol. Its IUPAC name is (2R,3S,4R)-2,3,4,5-tetrahydroxy-1-trimethylsilylpentan-1-one.

Molecular Properties

Compound Name(2R,3S,4R)-2,3,4,5-tetrahydroxy-1-trimethylsilylpentan-1-one
PubChem CID20638754
Molecular FormulaC8H18O5Si
Molecular Weight222.31 g/mol
Exact Mass222.09
IUPAC Name(2R,3S,4R)-2,3,4,5-tetrahydroxy-1-trimethylsilylpentan-1-one
SMILESC[Si](C)(C)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO
InChIInChI=1S/C8H18O5Si/c1-14(2,3)8(13)7(12)6(11)5(10)4-9/h5-7,9-12H,4H2,1-3H3/t5-,6+,7-/m1/s1
InChIKeyNEJIQDYTEQZSGD-DSYKOEDSSA-N
XLogP-1.49
TPSA97.99 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 5-1.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Tms-rhamnose
CID 77620767
Trimethylsilyl glucose
CID 87323113
(3R,4S)-6-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydroxyhexan-2-one
CID 16756247
Tms-fructose
CID 129717754
Tms-sorbose
CID 129724070
Tris(trimethylsilyl)--glucose
CID 129761159
Sorbose tms ether
CID 129819416
2,3,5-tris-O-(tms)-xylonic acid
CID 129849732
Tris-(trimethylsilyl)-D-Ribose
CID 129889233
TMS-Ribose
CID 129890842
(2S,3R,4R)-2,3,4,5-tetrahydroxy-1-trimethylsilylpentan-1-one
CID 20638748
(2R,3S,4S,5R)-2,3,4,5,6-pentahydroxy-1-trimethylsilylhexan-1-one
CID 20638751

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R)-2,3,4,5-tetrahydroxy-1-trimethylsilylpentan-1-one?
The IUPAC name of (2R,3S,4R)-2,3,4,5-tetrahydroxy-1-trimethylsilylpentan-1-one (CID 20638754) is (2R,3S,4R)-2,3,4,5-tetrahydroxy-1-trimethylsilylpentan-1-one.
What is the SMILES notation for (2R,3S,4R)-2,3,4,5-tetrahydroxy-1-trimethylsilylpentan-1-one?
The canonical SMILES for (2R,3S,4R)-2,3,4,5-tetrahydroxy-1-trimethylsilylpentan-1-one is C[Si](C)(C)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO.
What is the InChIKey of (2R,3S,4R)-2,3,4,5-tetrahydroxy-1-trimethylsilylpentan-1-one?
The InChIKey is NEJIQDYTEQZSGD-DSYKOEDSSA-N. The full InChI is InChI=1S/C8H18O5Si/c1-14(2,3)8(13)7(12)6(11)5(10)4-9/h5-7,9-12H,4H2,1-3H3/t5-,6+,7-/m1/s1.
What are the key properties of (2R,3S,4R)-2,3,4,5-tetrahydroxy-1-trimethylsilylpentan-1-one?
(2R,3S,4R)-2,3,4,5-tetrahydroxy-1-trimethylsilylpentan-1-one has a molecular weight of 222.31 g/mol, XLogP of -1.49, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R)-2,3,4,5-tetrahydroxy-1-trimethylsilylpentan-1-one is sourced from PubChem (CID 20638754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).