(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-methoxy-4,5-bis(triethylsilyloxy)oxan-3-ol

C19H42O6Si2 — CID 132991541

IUPAC(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-methoxy-4,5-bis(triethylsilyloxy)oxan-3-ol
SMILESCC[Si](CC)(CC)O[C@H]1[C@@H](OC)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](CC)(CC)CC
InChIInChI=1S/C19H42O6Si2/c1-8-26(9-2,10-3)24-17-16(21)15(14-20)23-19(22-7)18(17)25-27(11-4,12-5)13-6/h15-21H,8-14H2,1-7H3/t15-,16-,17+,18-,19+/m1/s1
InChIKeyARKXBRMBRKYUMH-FQBWVUSXSA-N
MW422.71 g/mol
LogP3.49
Rot. Bonds12

About (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-methoxy-4,5-bis(triethylsilyloxy)oxan-3-ol

(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-methoxy-4,5-bis(triethylsilyloxy)oxan-3-ol (PubChem CID 132991541) has the molecular formula C19H42O6Si2 and a molecular weight of 422.71 g/mol. Its IUPAC name is (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-methoxy-4,5-bis(triethylsilyloxy)oxan-3-ol.

Molecular Properties

Compound Name(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-methoxy-4,5-bis(triethylsilyloxy)oxan-3-ol
PubChem CID132991541
Molecular FormulaC19H42O6Si2
Molecular Weight422.71 g/mol
Exact Mass422.25
IUPAC Name(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-methoxy-4,5-bis(triethylsilyloxy)oxan-3-ol
SMILESCC[Si](CC)(CC)O[C@H]1[C@@H](OC)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](CC)(CC)CC
InChIInChI=1S/C19H42O6Si2/c1-8-26(9-2,10-3)24-17-16(21)15(14-20)23-19(22-7)18(17)25-27(11-4,12-5)13-6/h15-21H,8-14H2,1-7H3/t15-,16-,17+,18-,19+/m1/s1
InChIKeyARKXBRMBRKYUMH-FQBWVUSXSA-N
XLogP3.49
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.71
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-5,6-dimethoxyoxane-3,4-diol
CID 11117256
(2R,3R,4S,5R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methoxy-5-triethylsilyloxyoxane-3,4-diol
CID 71607179
(2S,3S,4R,5S,6S)-2-[(2S,3S,4R,5R)-4-hydroxy-5-(hydroxymethyl)-2-methoxyoxolan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 163050257
(2R,3S,4R)-2-(hydroxymethyl)-5-methoxyoxolane-3,4-diol
CID 11789546
(2R,3R,4S,5S)-2-(hydroxymethyl)-5-methoxyoxolane-3,4-diol
CID 12889250
(2S,3S,4S)-2-(hydroxymethyl)-5-methoxyoxolane-3,4-diol
CID 12042993
(2R,3S,4R,5S)-2-(hydroxymethyl)-5-methoxyoxolane-3,4-diol
CID 12889245
(2R,3R,4S,5R,6R)-2-[(2R,3R,4S,5S,6S)-3-hydroxy-2-(hydroxymethyl)-6-methoxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 10098104
(3R,4S,5R,6R)-4-[(2S,3S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-2,3,5-triol
CID 46202857
(3S,4S,5R)-5-aminooxy-2-(hydroxymethyl)-6-methoxyoxane-3,4-diol
CID 67771232
(3R,4R,5R,6R)-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol
CID 132769952
(2R,4S,6R)-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol
CID 89334759

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-methoxy-4,5-bis(triethylsilyloxy)oxan-3-ol?
The IUPAC name of (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-methoxy-4,5-bis(triethylsilyloxy)oxan-3-ol (CID 132991541) is (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-methoxy-4,5-bis(triethylsilyloxy)oxan-3-ol.
What is the SMILES notation for (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-methoxy-4,5-bis(triethylsilyloxy)oxan-3-ol?
The canonical SMILES for (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-methoxy-4,5-bis(triethylsilyloxy)oxan-3-ol is CC[Si](CC)(CC)O[C@H]1[C@@H](OC)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](CC)(CC)CC.
What is the InChIKey of (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-methoxy-4,5-bis(triethylsilyloxy)oxan-3-ol?
The InChIKey is ARKXBRMBRKYUMH-FQBWVUSXSA-N. The full InChI is InChI=1S/C19H42O6Si2/c1-8-26(9-2,10-3)24-17-16(21)15(14-20)23-19(22-7)18(17)25-27(11-4,12-5)13-6/h15-21H,8-14H2,1-7H3/t15-,16-,17+,18-,19+/m1/s1.
What are the key properties of (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-methoxy-4,5-bis(triethylsilyloxy)oxan-3-ol?
(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-methoxy-4,5-bis(triethylsilyloxy)oxan-3-ol has a molecular weight of 422.71 g/mol, XLogP of 3.49, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-methoxy-4,5-bis(triethylsilyloxy)oxan-3-ol is sourced from PubChem (CID 132991541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).