(2S,3R,5R)-5-[(1S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-3-[tert-butyl(dimethyl)silyl]oxy-5-methyloxolane-2-carbaldehyde

C26H56O5Si3 — CID 25107871

IUPAC(2S,3R,5R)-5-[(1S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-3-[tert-butyl(dimethyl)silyl]oxy-5-methyloxolane-2-carbaldehyde
SMILESCC(C)(C)[Si](C)(C)OC[C@H](O[Si](C)(C)C(C)(C)C)[C@@]1(C)C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C=O)O1
InChIInChI=1S/C26H56O5Si3/c1-23(2,3)32(11,12)28-19-22(31-34(15,16)25(7,8)9)26(10)17-20(21(18-27)29-26)30-33(13,14)24(4,5)6/h18,20-22H,17,19H2,1-16H3/t20-,21-,22+,26-/m1/s1
InChIKeyZCESTPSONPBBHM-ZUVQJFRASA-N
MW532.99 g/mol
LogP7.54
Rot. Bonds9

About (2S,3R,5R)-5-[(1S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-3-[tert-butyl(dimethyl)silyl]oxy-5-methyloxolane-2-carbaldehyde

(2S,3R,5R)-5-[(1S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-3-[tert-butyl(dimethyl)silyl]oxy-5-methyloxolane-2-carbaldehyde (PubChem CID 25107871) has the molecular formula C26H56O5Si3 and a molecular weight of 532.99 g/mol. Its IUPAC name is (2S,3R,5R)-5-[(1S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-3-[tert-butyl(dimethyl)silyl]oxy-5-methyloxolane-2-carbaldehyde.

Molecular Properties

Compound Name(2S,3R,5R)-5-[(1S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-3-[tert-butyl(dimethyl)silyl]oxy-5-methyloxolane-2-carbaldehyde
PubChem CID25107871
Molecular FormulaC26H56O5Si3
Molecular Weight532.99 g/mol
Exact Mass532.34
IUPAC Name(2S,3R,5R)-5-[(1S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-3-[tert-butyl(dimethyl)silyl]oxy-5-methyloxolane-2-carbaldehyde
SMILESCC(C)(C)[Si](C)(C)OC[C@H](O[Si](C)(C)C(C)(C)C)[C@@]1(C)C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C=O)O1
InChIInChI=1S/C26H56O5Si3/c1-23(2,3)32(11,12)28-19-22(31-34(15,16)25(7,8)9)26(10)17-20(21(18-27)29-26)30-33(13,14)24(4,5)6/h18,20-22H,17,19H2,1-16H3/t20-,21-,22+,26-/m1/s1
InChIKeyZCESTPSONPBBHM-ZUVQJFRASA-N
XLogP7.54
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.99
LogP ≤ 57.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (2S,3R,5R)-5-[(1S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-3-[tert-butyl(dimethyl)silyl]oxy-5-methyloxolane-2-carbaldehyde with MolForge

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Related Compounds

(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(2R)-5-oxooxolan-2-yl]-2-triethylsilyloxypropanal
CID 11784419
(3R,4R)-7-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-4-methyl-3-triethylsilyloxyheptanal
CID 54577935
(2R,5S)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxane-2-carbaldehyde
CID 134833656
(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
2-[tert-butyl(dimethyl)silyl]oxy-2-[(5R)-5-[2-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-2-methyloxolan-2-yl]acetaldehyde
CID 135024173
(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
methyl (2S,3S,4R,5S,6R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methoxy-4,6-dimethyl-7-oxoheptanoate
CID 10027982
(2R)-2-[(3S,7S)-7-[tert-butyl(dimethyl)silyl]oxy-3-methyl-2,5-dioxabicyclo[2.2.1]heptan-1-yl]-2-methoxyacetaldehyde
CID 57720372
methyl (2S,3R,4R,5R,6R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methoxy-4,6-dimethyl-7-oxoheptanoate
CID 89198256
2-[(2S,3S,4R)-5-[2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-3-ethyl-4-methoxyoxolan-2-yl]acetaldehyde
CID 173886873
(2S,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-3-[(2R)-5-oxooxolan-2-yl]propanal
CID 10621168

Frequently Asked Questions

What is the IUPAC name of (2S,3R,5R)-5-[(1S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-3-[tert-butyl(dimethyl)silyl]oxy-5-methyloxolane-2-carbaldehyde?
The IUPAC name of (2S,3R,5R)-5-[(1S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-3-[tert-butyl(dimethyl)silyl]oxy-5-methyloxolane-2-carbaldehyde (CID 25107871) is (2S,3R,5R)-5-[(1S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-3-[tert-butyl(dimethyl)silyl]oxy-5-methyloxolane-2-carbaldehyde.
What is the SMILES notation for (2S,3R,5R)-5-[(1S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-3-[tert-butyl(dimethyl)silyl]oxy-5-methyloxolane-2-carbaldehyde?
The canonical SMILES for (2S,3R,5R)-5-[(1S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-3-[tert-butyl(dimethyl)silyl]oxy-5-methyloxolane-2-carbaldehyde is CC(C)(C)[Si](C)(C)OC[C@H](O[Si](C)(C)C(C)(C)C)[C@@]1(C)C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C=O)O1.
What is the InChIKey of (2S,3R,5R)-5-[(1S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-3-[tert-butyl(dimethyl)silyl]oxy-5-methyloxolane-2-carbaldehyde?
The InChIKey is ZCESTPSONPBBHM-ZUVQJFRASA-N. The full InChI is InChI=1S/C26H56O5Si3/c1-23(2,3)32(11,12)28-19-22(31-34(15,16)25(7,8)9)26(10)17-20(21(18-27)29-26)30-33(13,14)24(4,5)6/h18,20-22H,17,19H2,1-16H3/t20-,21-,22+,26-/m1/s1.
What are the key properties of (2S,3R,5R)-5-[(1S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-3-[tert-butyl(dimethyl)silyl]oxy-5-methyloxolane-2-carbaldehyde?
(2S,3R,5R)-5-[(1S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-3-[tert-butyl(dimethyl)silyl]oxy-5-methyloxolane-2-carbaldehyde has a molecular weight of 532.99 g/mol, XLogP of 7.54, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,5R)-5-[(1S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-3-[tert-butyl(dimethyl)silyl]oxy-5-methyloxolane-2-carbaldehyde is sourced from PubChem (CID 25107871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).