(2R,3R,5S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-6-(methoxymethyl)-2-methyloxane-2-carbaldehyde

C16H32O5Si — CID 102271439

IUPAC(2R,3R,5S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-6-(methoxymethyl)-2-methyloxane-2-carbaldehyde
SMILESCOC[C@@H]1O[C@@](C)(C=O)[C@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1OC
InChIInChI=1S/C16H32O5Si/c1-15(2,3)22(7,8)21-14-9-12(19-6)13(10-18-5)20-16(14,4)11-17/h11-14H,9-10H2,1-8H3/t12-,13-,14+,16-/m0/s1
InChIKeyJUUPRWAIAUGTRU-AYDFFVQHSA-N
MW332.51 g/mol
LogP2.78
Rot. Bonds6

About (2R,3R,5S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-6-(methoxymethyl)-2-methyloxane-2-carbaldehyde

(2R,3R,5S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-6-(methoxymethyl)-2-methyloxane-2-carbaldehyde (PubChem CID 102271439) has the molecular formula C16H32O5Si and a molecular weight of 332.51 g/mol. Its IUPAC name is (2R,3R,5S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-6-(methoxymethyl)-2-methyloxane-2-carbaldehyde.

Molecular Properties

Compound Name(2R,3R,5S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-6-(methoxymethyl)-2-methyloxane-2-carbaldehyde
PubChem CID102271439
Molecular FormulaC16H32O5Si
Molecular Weight332.51 g/mol
Exact Mass332.20
IUPAC Name(2R,3R,5S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-6-(methoxymethyl)-2-methyloxane-2-carbaldehyde
SMILESCOC[C@@H]1O[C@@](C)(C=O)[C@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1OC
InChIInChI=1S/C16H32O5Si/c1-15(2,3)22(7,8)21-14-9-12(19-6)13(10-18-5)20-16(14,4)11-17/h11-14H,9-10H2,1-8H3/t12-,13-,14+,16-/m0/s1
InChIKeyJUUPRWAIAUGTRU-AYDFFVQHSA-N
XLogP2.78
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.51
LogP ≤ 52.78
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'}

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Related Compounds

methyl 2-[(2S,4S,5S,6R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-formyloxan-2-yl]acetate
CID 11316799
methyl 2-[(2S,3R,4R,5S,6S)-2-acetyl-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]-6-methyloxan-2-yl]acetate
CID 23631142
methyl (2S,3R)-3-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethyl-4-oxobutyl]oxirane-2-carboxylate
CID 25170444
methyl (2S)-2-[(2S,4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethyl-6-(2-oxobutyl)oxan-2-yl]-2-methoxyacetate
CID 25170448
(2R,5S)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxane-2-carbaldehyde
CID 134833656
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
(2R)-2-[(2R,3R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-3-methyl-6-oxooxan-2-yl]propanal
CID 10381999
(2R,3S,4R,5S)-3,4-bis(triethylsilyloxy)-5-[[(2S,3S)-3-[(2R,3S)-3-triethylsilyloxybutan-2-yl]oxiran-2-yl]methyl]oxane-2-carbaldehyde
CID 10841516
(2R,3R,5S,6R)-3-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-6-(methoxymethyl)-2-methyloxane-2-carbaldehyde
CID 11256045
(2R,3R,4S,5S,6R)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxane-2-carbaldehyde
CID 11308253

Frequently Asked Questions

What is the IUPAC name of (2R,3R,5S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-6-(methoxymethyl)-2-methyloxane-2-carbaldehyde?
The IUPAC name of (2R,3R,5S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-6-(methoxymethyl)-2-methyloxane-2-carbaldehyde (CID 102271439) is (2R,3R,5S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-6-(methoxymethyl)-2-methyloxane-2-carbaldehyde.
What is the SMILES notation for (2R,3R,5S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-6-(methoxymethyl)-2-methyloxane-2-carbaldehyde?
The canonical SMILES for (2R,3R,5S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-6-(methoxymethyl)-2-methyloxane-2-carbaldehyde is COC[C@@H]1O[C@@](C)(C=O)[C@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1OC.
What is the InChIKey of (2R,3R,5S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-6-(methoxymethyl)-2-methyloxane-2-carbaldehyde?
The InChIKey is JUUPRWAIAUGTRU-AYDFFVQHSA-N. The full InChI is InChI=1S/C16H32O5Si/c1-15(2,3)22(7,8)21-14-9-12(19-6)13(10-18-5)20-16(14,4)11-17/h11-14H,9-10H2,1-8H3/t12-,13-,14+,16-/m0/s1.
What are the key properties of (2R,3R,5S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-6-(methoxymethyl)-2-methyloxane-2-carbaldehyde?
(2R,3R,5S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-6-(methoxymethyl)-2-methyloxane-2-carbaldehyde has a molecular weight of 332.51 g/mol, XLogP of 2.78, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,5S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-6-(methoxymethyl)-2-methyloxane-2-carbaldehyde is sourced from PubChem (CID 102271439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).