(2R,3S,4S)-2-(hydroxymethyl)-4-(2-trimethylsilylethoxymethoxy)-3,4-dihydro-2H-pyran-3-ol

C12H24O5Si — CID 23255675

IUPAC(2R,3S,4S)-2-(hydroxymethyl)-4-(2-trimethylsilylethoxymethoxy)-3,4-dihydro-2H-pyran-3-ol
SMILESC[Si](C)(C)CCOCO[C@H]1C=CO[C@H](CO)[C@H]1O
InChIInChI=1S/C12H24O5Si/c1-18(2,3)7-6-15-9-17-10-4-5-16-11(8-13)12(10)14/h4-5,10-14H,6-9H2,1-3H3/t10-,11+,12-/m0/s1
InChIKeyQGTQKHNNYHZYPK-TUAOUCFPSA-N
MW276.41 g/mol
LogP0.95
Rot. Bonds7

About (2R,3S,4S)-2-(hydroxymethyl)-4-(2-trimethylsilylethoxymethoxy)-3,4-dihydro-2H-pyran-3-ol

(2R,3S,4S)-2-(hydroxymethyl)-4-(2-trimethylsilylethoxymethoxy)-3,4-dihydro-2H-pyran-3-ol (PubChem CID 23255675) has the molecular formula C12H24O5Si and a molecular weight of 276.41 g/mol. Its IUPAC name is (2R,3S,4S)-2-(hydroxymethyl)-4-(2-trimethylsilylethoxymethoxy)-3,4-dihydro-2H-pyran-3-ol.

Molecular Properties

Compound Name(2R,3S,4S)-2-(hydroxymethyl)-4-(2-trimethylsilylethoxymethoxy)-3,4-dihydro-2H-pyran-3-ol
PubChem CID23255675
Molecular FormulaC12H24O5Si
Molecular Weight276.41 g/mol
Exact Mass276.14
IUPAC Name(2R,3S,4S)-2-(hydroxymethyl)-4-(2-trimethylsilylethoxymethoxy)-3,4-dihydro-2H-pyran-3-ol
SMILESC[Si](C)(C)CCOCO[C@H]1C=CO[C@H](CO)[C@H]1O
InChIInChI=1S/C12H24O5Si/c1-18(2,3)7-6-15-9-17-10-4-5-16-11(8-13)12(10)14/h4-5,10-14H,6-9H2,1-3H3/t10-,11+,12-/m0/s1
InChIKeyQGTQKHNNYHZYPK-TUAOUCFPSA-N
XLogP0.95
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze (2R,3S,4S)-2-(hydroxymethyl)-4-(2-trimethylsilylethoxymethoxy)-3,4-dihydro-2H-pyran-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-O-(Triisopropylsilyl)-D-glucal
CID 10614345
(2S,3R,4S)-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-3,4-diol
CID 10804352
6-O-(Triisopropylsilyl)-D-galactal
CID 10859624
1-tert-Butyldimethylsilanyloxy)-4-(2-methoxyethoxymethoxy)hex-5-en-3-ol
CID 46894690
(1S,4S,5R,6R)-5-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-4-(methoxymethoxy)cyclohex-2-en-1-ol
CID 134836901
(3S)-2-methyl-3-(2-trimethylsilylethoxymethoxy)-3,4-dihydro-2H-pyran-4-ol
CID 134855216
(3R)-2-methyl-4-(2-trimethylsilylethoxymethoxy)-3,4-dihydro-2H-pyran-3-ol
CID 134971279
6-O-Triisopropylsilyl-D-glucal
CID 3393782
2-[Tert-butyl(dimethyl)silyl]oxy-1-(5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl)ethanol
CID 14188247
4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-3-ol
CID 14523914
3-O-(tert-butyldimethyl-silyl)-D-glucal
CID 14523915
(3S)-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-3,4-diol
CID 54418268

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S)-2-(hydroxymethyl)-4-(2-trimethylsilylethoxymethoxy)-3,4-dihydro-2H-pyran-3-ol?
The IUPAC name of (2R,3S,4S)-2-(hydroxymethyl)-4-(2-trimethylsilylethoxymethoxy)-3,4-dihydro-2H-pyran-3-ol (CID 23255675) is (2R,3S,4S)-2-(hydroxymethyl)-4-(2-trimethylsilylethoxymethoxy)-3,4-dihydro-2H-pyran-3-ol.
What is the SMILES notation for (2R,3S,4S)-2-(hydroxymethyl)-4-(2-trimethylsilylethoxymethoxy)-3,4-dihydro-2H-pyran-3-ol?
The canonical SMILES for (2R,3S,4S)-2-(hydroxymethyl)-4-(2-trimethylsilylethoxymethoxy)-3,4-dihydro-2H-pyran-3-ol is C[Si](C)(C)CCOCO[C@H]1C=CO[C@H](CO)[C@H]1O.
What is the InChIKey of (2R,3S,4S)-2-(hydroxymethyl)-4-(2-trimethylsilylethoxymethoxy)-3,4-dihydro-2H-pyran-3-ol?
The InChIKey is QGTQKHNNYHZYPK-TUAOUCFPSA-N. The full InChI is InChI=1S/C12H24O5Si/c1-18(2,3)7-6-15-9-17-10-4-5-16-11(8-13)12(10)14/h4-5,10-14H,6-9H2,1-3H3/t10-,11+,12-/m0/s1.
What are the key properties of (2R,3S,4S)-2-(hydroxymethyl)-4-(2-trimethylsilylethoxymethoxy)-3,4-dihydro-2H-pyran-3-ol?
(2R,3S,4S)-2-(hydroxymethyl)-4-(2-trimethylsilylethoxymethoxy)-3,4-dihydro-2H-pyran-3-ol has a molecular weight of 276.41 g/mol, XLogP of 0.95, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S)-2-(hydroxymethyl)-4-(2-trimethylsilylethoxymethoxy)-3,4-dihydro-2H-pyran-3-ol is sourced from PubChem (CID 23255675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).