(2R,3S,4R)-5-methyl-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-3,4-diol

C16H32O4Si — CID 10710547

IUPAC(2R,3S,4R)-5-methyl-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-3,4-diol
SMILESCC1=CO[C@H](CO[Si](C(C)C)(C(C)C)C(C)C)[C@@H](O)[C@@H]1O
InChIInChI=1S/C16H32O4Si/c1-10(2)21(11(3)4,12(5)6)20-9-14-16(18)15(17)13(7)8-19-14/h8,10-12,14-18H,9H2,1-7H3/t14-,15-,16-/m1/s1
InChIKeyVNZPFWGAWIVJSN-BZUAXINKSA-N
MW316.51 g/mol
LogP3.20
Rot. Bonds6

About (2R,3S,4R)-5-methyl-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-3,4-diol

(2R,3S,4R)-5-methyl-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-3,4-diol (PubChem CID 10710547) has the molecular formula C16H32O4Si and a molecular weight of 316.51 g/mol. Its IUPAC name is (2R,3S,4R)-5-methyl-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-3,4-diol.

Molecular Properties

Compound Name(2R,3S,4R)-5-methyl-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-3,4-diol
PubChem CID10710547
Molecular FormulaC16H32O4Si
Molecular Weight316.51 g/mol
Exact Mass316.21
IUPAC Name(2R,3S,4R)-5-methyl-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-3,4-diol
SMILESCC1=CO[C@H](CO[Si](C(C)C)(C(C)C)C(C)C)[C@@H](O)[C@@H]1O
InChIInChI=1S/C16H32O4Si/c1-10(2)21(11(3)4,12(5)6)20-9-14-16(18)15(17)13(7)8-19-14/h8,10-12,14-18H,9H2,1-7H3/t14-,15-,16-/m1/s1
InChIKeyVNZPFWGAWIVJSN-BZUAXINKSA-N
XLogP3.20
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.51
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-O-(Triisopropylsilyl)-D-glucal
CID 10614345
3,6-Di-O-tert-butyldimethylsilyl-D-glucal
CID 14176659
(2S,3R,4S)-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-3,4-diol
CID 10804352
6-O-(tert-Butyldimethylsilyl)-D-glucal
CID 11021628
6-O-(Triisopropylsilyl)-D-galactal
CID 10859624
(3R,4R,5S)-6-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-4-trimethylsilyloxyhex-1-en-3-ol
CID 101564704
[(2R,3S,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-3,4-dihydro-2H-pyran-2-yl]methanol
CID 139255502
(2R,3R)-2-(((tert-butyldimethylsilyl)oxy)methyl)-3,4-dihydro-2H-pyran-3,4-diol
CID 166177058
(2R,3S,4R)-4-((Triisopropylsilyl)oxy)-2-(((triisopropylsilyl)oxy)methyl)-3,4-dihydro-2H-pyran-3-ol
CID 10647578
1,5-Anhydro-2-deoxy-3,6-bis-O-[tris(1-methylethyl)silyl]-D-arabino-hex-1-enitol
CID 10939462
(2R,3S,4R)-4-((tert-Butyldimethylsilyl)oxy)-2-(((tert-butyldimethylsilyl)oxy)methyl)-3,4-dihydro-2H-pyran-3-ol
CID 14176660
6-O-Triisopropylsilyl-D-glucal
CID 3393782

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R)-5-methyl-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-3,4-diol?
The IUPAC name of (2R,3S,4R)-5-methyl-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-3,4-diol (CID 10710547) is (2R,3S,4R)-5-methyl-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-3,4-diol.
What is the SMILES notation for (2R,3S,4R)-5-methyl-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-3,4-diol?
The canonical SMILES for (2R,3S,4R)-5-methyl-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-3,4-diol is CC1=CO[C@H](CO[Si](C(C)C)(C(C)C)C(C)C)[C@@H](O)[C@@H]1O.
What is the InChIKey of (2R,3S,4R)-5-methyl-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-3,4-diol?
The InChIKey is VNZPFWGAWIVJSN-BZUAXINKSA-N. The full InChI is InChI=1S/C16H32O4Si/c1-10(2)21(11(3)4,12(5)6)20-9-14-16(18)15(17)13(7)8-19-14/h8,10-12,14-18H,9H2,1-7H3/t14-,15-,16-/m1/s1.
What are the key properties of (2R,3S,4R)-5-methyl-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-3,4-diol?
(2R,3S,4R)-5-methyl-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-3,4-diol has a molecular weight of 316.51 g/mol, XLogP of 3.20, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R)-5-methyl-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-3,4-diol is sourced from PubChem (CID 10710547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).