(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

C27H58O4Si3 — CID 102143529

IUPAC(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
SMILESCC(C)[Si](OC[C@H](O[Si](C)(C)C(C)(C)C)[C@H](CO)[C@H](O)[C@@H](C)C#C[Si](C)(C)C)(C(C)C)C(C)C
InChIInChI=1S/C27H58O4Si3/c1-20(2)34(21(3)4,22(5)6)30-19-25(31-33(14,15)27(8,9)10)24(18-28)26(29)23(7)16-17-32(11,12)13/h20-26,28-29H,18-19H2,1-15H3/t23-,24-,25-,26+/m0/s1
InChIKeyUWZMVNCNJRUJLR-ASDGIDEWSA-N
MW531.02 g/mol
LogP7.06
Rot. Bonds12

About (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

(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 (PubChem CID 102143529) has the molecular formula C27H58O4Si3 and a molecular weight of 531.02 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID102143529
Molecular FormulaC27H58O4Si3
Molecular Weight531.02 g/mol
Exact Mass530.36
IUPAC Name(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
SMILESCC(C)[Si](OC[C@H](O[Si](C)(C)C(C)(C)C)[C@H](CO)[C@H](O)[C@@H](C)C#C[Si](C)(C)C)(C(C)C)C(C)C
InChIInChI=1S/C27H58O4Si3/c1-20(2)34(21(3)4,22(5)6)30-19-25(31-33(14,15)27(8,9)10)24(18-28)26(29)23(7)16-17-32(11,12)13/h20-26,28-29H,18-19H2,1-15H3/t23-,24-,25-,26+/m0/s1
InChIKeyUWZMVNCNJRUJLR-ASDGIDEWSA-N
XLogP7.06
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.02
LogP ≤ 57.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R,3S,4S,5R)-3,5-dimethyl-1-tri(propan-2-yl)silyloxyoct-6-yne-2,4-diol
CID 11089168
(3S,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5-triethylsilyloxy-1-trimethylsilylhept-1-yn-3-ol
CID 11305351
(3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-7-methyl-1-trimethylsilyloct-1-yn-3-ol
CID 11393738
(3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-7-methyl-1-trimethylsilyloct-1-yn-3-ol
CID 11416604
(2R,3R)-3-[(1S)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]butane-1,2,4-triol
CID 14061530
(2R,3R,4R,5S)-2-(2-methoxyethoxymethoxy)-3,5-dimethyl-1-tri(propan-2-yl)silyloxyoct-6-yn-4-ol
CID 101369899
(2R,3R,4S,5R)-3,5-dimethyl-1-tri(propan-2-yl)silyloxyoct-6-yne-2,4-diol
CID 101369900
(2R,3S,4R,5S)-3-methyl-4-prop-1-ynyl-1-tri(propan-2-yl)silyloxyhexane-2,5-diol
CID 101369902
(2R,3S,4S,5S)-2-(2-methoxyethoxymethoxy)-3,5-dimethyl-1-tri(propan-2-yl)silyloxyoct-6-yn-4-ol
CID 101369906
(3R,4R,5S,6S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-4,6-dimethyl-1-trimethylsilylhept-1-yn-3-ol
CID 101756872
(2S,3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylhex-5-yn-1-ol
CID 134848527
(2S,3R,4S,5S)-2-[tert-butyl(dimethyl)silyl]oxy-4-methyl-7-trimethylsilylhept-6-yne-1,3,5-triol
CID 134878533

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CC(C)[Si](OC[C@H](O[Si](C)(C)C(C)(C)C)[C@H](CO)[C@H](O)[C@@H](C)C#C[Si](C)(C)C)(C(C)C)C(C)C.
What is the InChIKey of (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?
The InChIKey is UWZMVNCNJRUJLR-ASDGIDEWSA-N. The full InChI is InChI=1S/C27H58O4Si3/c1-20(2)34(21(3)4,22(5)6)30-19-25(31-33(14,15)27(8,9)10)24(18-28)26(29)23(7)16-17-32(11,12)13/h20-26,28-29H,18-19H2,1-15H3/t23-,24-,25-,26+/m0/s1.
What are the key properties of (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?
(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 has a molecular weight of 531.02 g/mol, XLogP of 7.06, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 102143529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).