(2R,3S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(1S,3R)-1,3,4-tris[[tert-butyl(dimethyl)silyl]oxy]butyl]oxolane-2-carbaldehyde

C33H72O6Si4 — CID 162419872

IUPAC(2R,3S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(1S,3R)-1,3,4-tris[[tert-butyl(dimethyl)silyl]oxy]butyl]oxolane-2-carbaldehyde
SMILESCC(C)(C)[Si](C)(C)OC[C@@H](C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C=O)O1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C33H72O6Si4/c1-30(2,3)40(13,14)35-24-25(37-41(15,16)31(4,5)6)21-27(38-42(17,18)32(7,8)9)26-22-28(29(23-34)36-26)39-43(19,20)33(10,11)12/h23,25-29H,21-22,24H2,1-20H3/t25-,26+,27+,28+,29+/m1/s1
InChIKeyBYPPAGCQODPEIA-QZLCNWOESA-N
MW677.28 g/mol
LogP9.93
Rot. Bonds13

About (2R,3S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(1S,3R)-1,3,4-tris[[tert-butyl(dimethyl)silyl]oxy]butyl]oxolane-2-carbaldehyde

(2R,3S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(1S,3R)-1,3,4-tris[[tert-butyl(dimethyl)silyl]oxy]butyl]oxolane-2-carbaldehyde (PubChem CID 162419872) has the molecular formula C33H72O6Si4 and a molecular weight of 677.28 g/mol. Its IUPAC name is (2R,3S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(1S,3R)-1,3,4-tris[[tert-butyl(dimethyl)silyl]oxy]butyl]oxolane-2-carbaldehyde.

Molecular Properties

Compound Name(2R,3S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(1S,3R)-1,3,4-tris[[tert-butyl(dimethyl)silyl]oxy]butyl]oxolane-2-carbaldehyde
PubChem CID162419872
Molecular FormulaC33H72O6Si4
Molecular Weight677.28 g/mol
Exact Mass676.44
IUPAC Name(2R,3S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(1S,3R)-1,3,4-tris[[tert-butyl(dimethyl)silyl]oxy]butyl]oxolane-2-carbaldehyde
SMILESCC(C)(C)[Si](C)(C)OC[C@@H](C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C=O)O1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C33H72O6Si4/c1-30(2,3)40(13,14)35-24-25(37-41(15,16)31(4,5)6)21-27(38-42(17,18)32(7,8)9)26-22-28(29(23-34)36-26)39-43(19,20)33(10,11)12/h23,25-29H,21-22,24H2,1-20H3/t25-,26+,27+,28+,29+/m1/s1
InChIKeyBYPPAGCQODPEIA-QZLCNWOESA-N
XLogP9.93
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500677.28
LogP ≤ 59.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2R,5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxytridecyl]oxolane-2-carbaldehyde
CID 10024691
methyl 2-[(2S,4S,5S,6R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-formyloxan-2-yl]acetate
CID 11316799
(2R,5R)-5-[(2R,5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxytridecyl]oxolan-2-yl]oxolane-2-carbaldehyde
CID 11496721
(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(2R)-5-oxooxolan-2-yl]-2-triethylsilyloxypropanal
CID 11784419
(2R,5R)-5-[(2R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]oxolane-2-carbaldehyde
CID 11834009
(2R,5S)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxane-2-carbaldehyde
CID 134833656
5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxytridecyl]oxolane-2-carbaldehyde
CID 134864301
(2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolane-2-carbaldehyde
CID 134931202
(2S,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolane-2-carbaldehyde
CID 134931206
(R)-2-butyl-D-Glc, TMS
CID 91749493
(R)-2-butyl-L-Glc, TMS
CID 91749495
(3S,4S,5S,6R)-3,4,5,7-tetrabutoxy-6-triethylsilyloxyheptanal
CID 89338434

Frequently Asked Questions

What is the IUPAC name of (2R,3S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(1S,3R)-1,3,4-tris[[tert-butyl(dimethyl)silyl]oxy]butyl]oxolane-2-carbaldehyde?
The IUPAC name of (2R,3S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(1S,3R)-1,3,4-tris[[tert-butyl(dimethyl)silyl]oxy]butyl]oxolane-2-carbaldehyde (CID 162419872) is (2R,3S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(1S,3R)-1,3,4-tris[[tert-butyl(dimethyl)silyl]oxy]butyl]oxolane-2-carbaldehyde.
What is the SMILES notation for (2R,3S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(1S,3R)-1,3,4-tris[[tert-butyl(dimethyl)silyl]oxy]butyl]oxolane-2-carbaldehyde?
The canonical SMILES for (2R,3S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(1S,3R)-1,3,4-tris[[tert-butyl(dimethyl)silyl]oxy]butyl]oxolane-2-carbaldehyde is CC(C)(C)[Si](C)(C)OC[C@@H](C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C=O)O1)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2R,3S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(1S,3R)-1,3,4-tris[[tert-butyl(dimethyl)silyl]oxy]butyl]oxolane-2-carbaldehyde?
The InChIKey is BYPPAGCQODPEIA-QZLCNWOESA-N. The full InChI is InChI=1S/C33H72O6Si4/c1-30(2,3)40(13,14)35-24-25(37-41(15,16)31(4,5)6)21-27(38-42(17,18)32(7,8)9)26-22-28(29(23-34)36-26)39-43(19,20)33(10,11)12/h23,25-29H,21-22,24H2,1-20H3/t25-,26+,27+,28+,29+/m1/s1.
What are the key properties of (2R,3S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(1S,3R)-1,3,4-tris[[tert-butyl(dimethyl)silyl]oxy]butyl]oxolane-2-carbaldehyde?
(2R,3S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(1S,3R)-1,3,4-tris[[tert-butyl(dimethyl)silyl]oxy]butyl]oxolane-2-carbaldehyde has a molecular weight of 677.28 g/mol, XLogP of 9.93, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(1S,3R)-1,3,4-tris[[tert-butyl(dimethyl)silyl]oxy]butyl]oxolane-2-carbaldehyde is sourced from PubChem (CID 162419872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).