(2R,3R)-3-[(1S)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]butane-1,2,4-triol

C19H44O5Si2 — CID 14061530

IUPAC(2R,3R)-3-[(1S)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]butane-1,2,4-triol
SMILESCC(C)(C)[Si](C)(C)OCC[C@H](O[Si](C)(C)C(C)(C)C)[C@H](CO)[C@@H](O)CO
InChIInChI=1S/C19H44O5Si2/c1-18(2,3)25(7,8)23-12-11-17(15(13-20)16(22)14-21)24-26(9,10)19(4,5)6/h15-17,20-22H,11-14H2,1-10H3/t15-,16+,17+/m1/s1
InChIKeyBITHHDIJYQFTRD-IKGGRYGDSA-N
MW408.73 g/mol
LogP3.75
Rot. Bonds10

About (2R,3R)-3-[(1S)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]butane-1,2,4-triol

(2R,3R)-3-[(1S)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]butane-1,2,4-triol (PubChem CID 14061530) has the molecular formula C19H44O5Si2 and a molecular weight of 408.73 g/mol. Its IUPAC name is (2R,3R)-3-[(1S)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]butane-1,2,4-triol.

Molecular Properties

Compound Name(2R,3R)-3-[(1S)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]butane-1,2,4-triol
PubChem CID14061530
Molecular FormulaC19H44O5Si2
Molecular Weight408.73 g/mol
Exact Mass408.27
IUPAC Name(2R,3R)-3-[(1S)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]butane-1,2,4-triol
SMILESCC(C)(C)[Si](C)(C)OCC[C@H](O[Si](C)(C)C(C)(C)C)[C@H](CO)[C@@H](O)CO
InChIInChI=1S/C19H44O5Si2/c1-18(2,3)25(7,8)23-12-11-17(15(13-20)16(22)14-21)24-26(9,10)19(4,5)6/h15-17,20-22H,11-14H2,1-10H3/t15-,16+,17+/m1/s1
InChIKeyBITHHDIJYQFTRD-IKGGRYGDSA-N
XLogP3.75
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.73
LogP ≤ 53.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (2R,3R)-3-[(1S)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]butane-1,2,4-triol with MolForge

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Related Compounds

(2R,3R)-3-[(2R,3R)-3-methyloxiran-2-yl]-1-tri(propan-2-yl)silyloxybutan-2-ol
CID 11023066
(2R,3R)-3-[(2R,3S)-3-methyloxiran-2-yl]-1-tri(propan-2-yl)silyloxybutan-2-ol
CID 11358562
(2R,3S)-3-[(2R,3R)-3-methyloxiran-2-yl]-1-tri(propan-2-yl)silyloxybutan-2-ol
CID 12061955
3-(3-Methyloxiran-2-yl)-1-tri(propan-2-yl)silyloxybutan-2-ol
CID 14967405
(2R,3S,4R,5S)-3-methyl-4-prop-1-ynyl-1-tri(propan-2-yl)silyloxyhexane-2,5-diol
CID 101369902
(3R,4R,5S,6S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-4,6-dimethyl-1-trimethylsilylhept-1-yn-3-ol
CID 101756872
(2R,3R,4S)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2-tri(propan-2-yl)silyloxyethyl]-4-methyl-6-trimethylsilylhex-5-yne-1,3-diol
CID 102143529
(3R,4R,5S,6R)-5-ethyl-6-triethylsilyloxyoctane-3,4-diol
CID 102278788
(3S,4S,5S,6R)-5-ethyl-6-triethylsilyloxyoctane-3,4-diol
CID 102278790
Hexatrimethylsilyl mannitol
CID 129674259
(2R,4S,5S,6S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,6-trimethylheptan-1-ol
CID 134845348
(2R,3S,4S,5S,6R)-1-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethyl-7-tri(propan-2-yl)silyloxyheptane-3,5-diol
CID 134863674

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-[(1S)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]butane-1,2,4-triol?
The IUPAC name of (2R,3R)-3-[(1S)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]butane-1,2,4-triol (CID 14061530) is (2R,3R)-3-[(1S)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]butane-1,2,4-triol.
What is the SMILES notation for (2R,3R)-3-[(1S)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]butane-1,2,4-triol?
The canonical SMILES for (2R,3R)-3-[(1S)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]butane-1,2,4-triol is CC(C)(C)[Si](C)(C)OCC[C@H](O[Si](C)(C)C(C)(C)C)[C@H](CO)[C@@H](O)CO.
What is the InChIKey of (2R,3R)-3-[(1S)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]butane-1,2,4-triol?
The InChIKey is BITHHDIJYQFTRD-IKGGRYGDSA-N. The full InChI is InChI=1S/C19H44O5Si2/c1-18(2,3)25(7,8)23-12-11-17(15(13-20)16(22)14-21)24-26(9,10)19(4,5)6/h15-17,20-22H,11-14H2,1-10H3/t15-,16+,17+/m1/s1.
What are the key properties of (2R,3R)-3-[(1S)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]butane-1,2,4-triol?
(2R,3R)-3-[(1S)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]butane-1,2,4-triol has a molecular weight of 408.73 g/mol, XLogP of 3.75, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-[(1S)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]butane-1,2,4-triol is sourced from PubChem (CID 14061530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).