(2R,3R,4S)-4-[tert-butyl(dimethyl)silyl]-2-(hydroxymethyl)-2,3-dihydropyran-3,4-diol

C12H24O4Si — CID 91063732

IUPAC(2R,3R,4S)-4-[tert-butyl(dimethyl)silyl]-2-(hydroxymethyl)-2,3-dihydropyran-3,4-diol
SMILESCC(C)(C)[Si](C)(C)[C@@]1(O)C=CO[C@H](CO)[C@H]1O
InChIInChI=1S/C12H24O4Si/c1-11(2,3)17(4,5)12(15)6-7-16-9(8-13)10(12)14/h6-7,9-10,13-15H,8H2,1-5H3/t9-,10-,12+/m1/s1
InChIKeyQIMXTJINKHDFEJ-FOGDFJRCSA-N
MW260.41 g/mol
LogP1.03
Rot. Bonds2

About (2R,3R,4S)-4-[tert-butyl(dimethyl)silyl]-2-(hydroxymethyl)-2,3-dihydropyran-3,4-diol

(2R,3R,4S)-4-[tert-butyl(dimethyl)silyl]-2-(hydroxymethyl)-2,3-dihydropyran-3,4-diol (PubChem CID 91063732) has the molecular formula C12H24O4Si and a molecular weight of 260.41 g/mol. Its IUPAC name is (2R,3R,4S)-4-[tert-butyl(dimethyl)silyl]-2-(hydroxymethyl)-2,3-dihydropyran-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4S)-4-[tert-butyl(dimethyl)silyl]-2-(hydroxymethyl)-2,3-dihydropyran-3,4-diol
PubChem CID91063732
Molecular FormulaC12H24O4Si
Molecular Weight260.41 g/mol
Exact Mass260.14
IUPAC Name(2R,3R,4S)-4-[tert-butyl(dimethyl)silyl]-2-(hydroxymethyl)-2,3-dihydropyran-3,4-diol
SMILESCC(C)(C)[Si](C)(C)[C@@]1(O)C=CO[C@H](CO)[C@H]1O
InChIInChI=1S/C12H24O4Si/c1-11(2,3)17(4,5)12(15)6-7-16-9(8-13)10(12)14/h6-7,9-10,13-15H,8H2,1-5H3/t9-,10-,12+/m1/s1
InChIKeyQIMXTJINKHDFEJ-FOGDFJRCSA-N
XLogP1.03
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R,3R,4R)-4-[tert-butyl(dimethyl)silyl]-2-(hydroxymethyl)oxolane-3,4-diol
CID 56997357
(2R,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-4-ol
CID 22859287
(1S,4aS,5R,6S,7S,7aR)-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,5,6,7a-tetrahydrocyclopenta[c]pyran-4a,5,6,7-tetrol
CID 10667455
(2R,3S,4R,5R)-2-(6-aminopurin-9-yl)-3-[tert-butyl(dimethyl)silyl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 152762007
2-tert-butyl-3-ethyl-5-(hydroxymethyl)oxolane-3,4-diol
CID 59796268
(2R)-2-(hydroxymethyl)-2,3-dihydrofuran-3-ol
CID 163959935
(3R,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dimethyl-2H-pyran-3,4-diol
CID 134068018
(2S,4R,5R)-5-(hydroxymethyl)-2-methyloxolane-2,3,4-triol
CID 57267196
(2S,3R,4S,5R)-2-(6-aminopurin-9-yl)-2-[tert-butyl(dimethyl)silyl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 67570457
2-amino-9-[(2R,3S,4R,5R)-3-[tert-butyl(dimethyl)silyl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one
CID 141262048
2-[(1,5-dihydroxy-5-methyl-3,8-dioxatricyclo[4.4.0.02,4]dec-9-en-7-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 14414192
(2R,3S,4R,5R,6S)-2-[[(1S,4aS,5R,7R,7aR)-4a,5-dihydroxy-7-methyl-5,6,7,7a-tetrahydro-1H-cyclopenta[c]pyran-1-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 162921638

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S)-4-[tert-butyl(dimethyl)silyl]-2-(hydroxymethyl)-2,3-dihydropyran-3,4-diol?
The IUPAC name of (2R,3R,4S)-4-[tert-butyl(dimethyl)silyl]-2-(hydroxymethyl)-2,3-dihydropyran-3,4-diol (CID 91063732) is (2R,3R,4S)-4-[tert-butyl(dimethyl)silyl]-2-(hydroxymethyl)-2,3-dihydropyran-3,4-diol.
What is the SMILES notation for (2R,3R,4S)-4-[tert-butyl(dimethyl)silyl]-2-(hydroxymethyl)-2,3-dihydropyran-3,4-diol?
The canonical SMILES for (2R,3R,4S)-4-[tert-butyl(dimethyl)silyl]-2-(hydroxymethyl)-2,3-dihydropyran-3,4-diol is CC(C)(C)[Si](C)(C)[C@@]1(O)C=CO[C@H](CO)[C@H]1O.
What is the InChIKey of (2R,3R,4S)-4-[tert-butyl(dimethyl)silyl]-2-(hydroxymethyl)-2,3-dihydropyran-3,4-diol?
The InChIKey is QIMXTJINKHDFEJ-FOGDFJRCSA-N. The full InChI is InChI=1S/C12H24O4Si/c1-11(2,3)17(4,5)12(15)6-7-16-9(8-13)10(12)14/h6-7,9-10,13-15H,8H2,1-5H3/t9-,10-,12+/m1/s1.
What are the key properties of (2R,3R,4S)-4-[tert-butyl(dimethyl)silyl]-2-(hydroxymethyl)-2,3-dihydropyran-3,4-diol?
(2R,3R,4S)-4-[tert-butyl(dimethyl)silyl]-2-(hydroxymethyl)-2,3-dihydropyran-3,4-diol has a molecular weight of 260.41 g/mol, XLogP of 1.03, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S)-4-[tert-butyl(dimethyl)silyl]-2-(hydroxymethyl)-2,3-dihydropyran-3,4-diol is sourced from PubChem (CID 91063732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).