2-[(2S,3S,4R,5S,6S)-3,4,5,6-tetrakis(phenylmethoxy)oxan-2-yl]-1-trimethylsilylethanone

C38H44O6Si — CID 134879546

IUPAC2-[(2S,3S,4R,5S,6S)-3,4,5,6-tetrakis(phenylmethoxy)oxan-2-yl]-1-trimethylsilylethanone
SMILESC[Si](C)(C)C(=O)C[C@@H]1O[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1
InChIInChI=1S/C38H44O6Si/c1-45(2,3)34(39)24-33-35(40-25-29-16-8-4-9-17-29)36(41-26-30-18-10-5-11-19-30)37(42-27-31-20-12-6-13-21-31)38(44-33)43-28-32-22-14-7-15-23-32/h4-23,33,35-38H,24-28H2,1-3H3/t33-,35-,36+,37-,38-/m0/s1
InChIKeyOIMNFDNZIZGYDX-MQWCQDLSSA-N
MW624.85 g/mol
LogP7.52
Rot. Bonds15

About 2-[(2S,3S,4R,5S,6S)-3,4,5,6-tetrakis(phenylmethoxy)oxan-2-yl]-1-trimethylsilylethanone

2-[(2S,3S,4R,5S,6S)-3,4,5,6-tetrakis(phenylmethoxy)oxan-2-yl]-1-trimethylsilylethanone (PubChem CID 134879546) has the molecular formula C38H44O6Si and a molecular weight of 624.85 g/mol. Its IUPAC name is 2-[(2S,3S,4R,5S,6S)-3,4,5,6-tetrakis(phenylmethoxy)oxan-2-yl]-1-trimethylsilylethanone.

Molecular Properties

Compound Name2-[(2S,3S,4R,5S,6S)-3,4,5,6-tetrakis(phenylmethoxy)oxan-2-yl]-1-trimethylsilylethanone
PubChem CID134879546
Molecular FormulaC38H44O6Si
Molecular Weight624.85 g/mol
Exact Mass624.29
IUPAC Name2-[(2S,3S,4R,5S,6S)-3,4,5,6-tetrakis(phenylmethoxy)oxan-2-yl]-1-trimethylsilylethanone
SMILESC[Si](C)(C)C(=O)C[C@@H]1O[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1
InChIInChI=1S/C38H44O6Si/c1-45(2,3)34(39)24-33-35(40-25-29-16-8-4-9-17-29)36(41-26-30-18-10-5-11-19-30)37(42-27-31-20-12-6-13-21-31)38(44-33)43-28-32-22-14-7-15-23-32/h4-23,33,35-38H,24-28H2,1-3H3/t33-,35-,36+,37-,38-/m0/s1
InChIKeyOIMNFDNZIZGYDX-MQWCQDLSSA-N
XLogP7.52
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500624.85
LogP ≤ 57.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(3R,4S,5R,6R)-3,4,5-Tris(benzyloxy)-6-((benzyloxy)methyl)oxan-2-one
CID 10907626
Methyl 2,3,4,6-tetrakis-O-(phenylmethyl)-alpha-D-glucopyranoside
CID 10840491
[(2R,3R,4S,5R)-3,4,5,6-tetrakis(phenylmethoxy)oxan-2-yl]methyl acetate
CID 156015102
Methyl 2,3,4,6-tetra-o-benzyl-D-glucopyranoside
CID 11203703
(2R,3R,4S,5R)-2-(methoxymethyl)-3,4,5,6-tetrakis(phenylmethoxy)oxane
CID 156013490
ethyl 2,2-difluoro-2-[(2R,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]acetate
CID 58004513
Ethyl 2,2-difluoro-2-[2-hydroxy-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]acetate
CID 85083965
Methyl 2,3,4,6-Tetra-O-benzyl-a-D-mannopyranoside
CID 10840492
(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)-6-prop-2-enoxyoxane
CID 11813898
(6-Allyloxy-3,4,5-tribenzyloxy-tetrahydropyran-2-yl)methoxy-tert-butyl-dimethyl-silane
CID 361712
Njm8UA2R52
CID 7167929
Trimethylsilyl-2,3,4,6-tetra-O-benzyl-b-D-glucopyranoside
CID 12897502

Frequently Asked Questions

What is the IUPAC name of 2-[(2S,3S,4R,5S,6S)-3,4,5,6-tetrakis(phenylmethoxy)oxan-2-yl]-1-trimethylsilylethanone?
The IUPAC name of 2-[(2S,3S,4R,5S,6S)-3,4,5,6-tetrakis(phenylmethoxy)oxan-2-yl]-1-trimethylsilylethanone (CID 134879546) is 2-[(2S,3S,4R,5S,6S)-3,4,5,6-tetrakis(phenylmethoxy)oxan-2-yl]-1-trimethylsilylethanone.
What is the SMILES notation for 2-[(2S,3S,4R,5S,6S)-3,4,5,6-tetrakis(phenylmethoxy)oxan-2-yl]-1-trimethylsilylethanone?
The canonical SMILES for 2-[(2S,3S,4R,5S,6S)-3,4,5,6-tetrakis(phenylmethoxy)oxan-2-yl]-1-trimethylsilylethanone is C[Si](C)(C)C(=O)C[C@@H]1O[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1.
What is the InChIKey of 2-[(2S,3S,4R,5S,6S)-3,4,5,6-tetrakis(phenylmethoxy)oxan-2-yl]-1-trimethylsilylethanone?
The InChIKey is OIMNFDNZIZGYDX-MQWCQDLSSA-N. The full InChI is InChI=1S/C38H44O6Si/c1-45(2,3)34(39)24-33-35(40-25-29-16-8-4-9-17-29)36(41-26-30-18-10-5-11-19-30)37(42-27-31-20-12-6-13-21-31)38(44-33)43-28-32-22-14-7-15-23-32/h4-23,33,35-38H,24-28H2,1-3H3/t33-,35-,36+,37-,38-/m0/s1.
What are the key properties of 2-[(2S,3S,4R,5S,6S)-3,4,5,6-tetrakis(phenylmethoxy)oxan-2-yl]-1-trimethylsilylethanone?
2-[(2S,3S,4R,5S,6S)-3,4,5,6-tetrakis(phenylmethoxy)oxan-2-yl]-1-trimethylsilylethanone has a molecular weight of 624.85 g/mol, XLogP of 7.52, 15 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,3S,4R,5S,6S)-3,4,5,6-tetrakis(phenylmethoxy)oxan-2-yl]-1-trimethylsilylethanone is sourced from PubChem (CID 134879546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).