(3R,5S)-3-trimethylsilyloxy-5-(trityloxymethyl)oxolan-2-one

C27H30O4Si — CID 11155064

IUPAC(3R,5S)-3-trimethylsilyloxy-5-(trityloxymethyl)oxolan-2-one
SMILESC[Si](C)(C)O[C@@H]1C[C@@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)OC1=O
InChIInChI=1S/C27H30O4Si/c1-32(2,3)31-25-19-24(30-26(25)28)20-29-27(21-13-7-4-8-14-21,22-15-9-5-10-16-22)23-17-11-6-12-18-23/h4-18,24-25H,19-20H2,1-3H3/t24-,25+/m0/s1
InChIKeyOAPCNSWLBVITGA-LOSJGSFVSA-N
MW446.62 g/mol
LogP5.53
Rot. Bonds8

About (3R,5S)-3-trimethylsilyloxy-5-(trityloxymethyl)oxolan-2-one

(3R,5S)-3-trimethylsilyloxy-5-(trityloxymethyl)oxolan-2-one (PubChem CID 11155064) has the molecular formula C27H30O4Si and a molecular weight of 446.62 g/mol. Its IUPAC name is (3R,5S)-3-trimethylsilyloxy-5-(trityloxymethyl)oxolan-2-one.

Molecular Properties

Compound Name(3R,5S)-3-trimethylsilyloxy-5-(trityloxymethyl)oxolan-2-one
PubChem CID11155064
Molecular FormulaC27H30O4Si
Molecular Weight446.62 g/mol
Exact Mass446.19
IUPAC Name(3R,5S)-3-trimethylsilyloxy-5-(trityloxymethyl)oxolan-2-one
SMILESC[Si](C)(C)O[C@@H]1C[C@@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)OC1=O
InChIInChI=1S/C27H30O4Si/c1-32(2,3)31-25-19-24(30-26(25)28)20-29-27(21-13-7-4-8-14-21,22-15-9-5-10-16-22)23-17-11-6-12-18-23/h4-18,24-25H,19-20H2,1-3H3/t24-,25+/m0/s1
InChIKeyOAPCNSWLBVITGA-LOSJGSFVSA-N
XLogP5.53
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.62
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3S,5S)-3-hydroxy-5-(trityloxymethyl)oxolan-2-one
CID 15478722
(5S)-3-(benzenesulfinyl)-5-(trityloxymethyl)oxolan-2-one
CID 11202502
5-(trityloxymethyl)-1,3-oxazolidin-2-one
CID 10109102
4-hydroxy-3-(1-hydroxyhexyl)-6-(trityloxymethyl)oxan-2-one
CID 163074925
(3Z,5S)-3-(1-iodoethylidene)-5-(trityloxymethyl)oxolan-2-one
CID 102593831
(3S,4R,5R)-3,4-dimethyl-5-(trityloxymethyl)oxolan-2-one
CID 10949057
(3S,4S,5S)-3,4-dimethyl-5-(trityloxymethyl)oxolan-2-one
CID 11632443
(5R)-5-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]oxolan-2-one
CID 10786507
(2R,6R)-2-methoxy-6-(trityloxymethyl)oxane
CID 56627536
(2R,3R,5R)-2-methoxy-5-(trityloxymethyl)oxolan-3-ol
CID 178184681
(3S,5S)-3-(methoxymethoxy)-5-(phenylmethoxymethyl)oxolan-2-one
CID 10858400
2-[(4R,6S)-2,2-dimethyl-6-(trityloxymethyl)-1,3-dioxan-4-yl]acetic acid
CID 18716197

Frequently Asked Questions

What is the IUPAC name of (3R,5S)-3-trimethylsilyloxy-5-(trityloxymethyl)oxolan-2-one?
The IUPAC name of (3R,5S)-3-trimethylsilyloxy-5-(trityloxymethyl)oxolan-2-one (CID 11155064) is (3R,5S)-3-trimethylsilyloxy-5-(trityloxymethyl)oxolan-2-one.
What is the SMILES notation for (3R,5S)-3-trimethylsilyloxy-5-(trityloxymethyl)oxolan-2-one?
The canonical SMILES for (3R,5S)-3-trimethylsilyloxy-5-(trityloxymethyl)oxolan-2-one is C[Si](C)(C)O[C@@H]1C[C@@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)OC1=O.
What is the InChIKey of (3R,5S)-3-trimethylsilyloxy-5-(trityloxymethyl)oxolan-2-one?
The InChIKey is OAPCNSWLBVITGA-LOSJGSFVSA-N. The full InChI is InChI=1S/C27H30O4Si/c1-32(2,3)31-25-19-24(30-26(25)28)20-29-27(21-13-7-4-8-14-21,22-15-9-5-10-16-22)23-17-11-6-12-18-23/h4-18,24-25H,19-20H2,1-3H3/t24-,25+/m0/s1.
What are the key properties of (3R,5S)-3-trimethylsilyloxy-5-(trityloxymethyl)oxolan-2-one?
(3R,5S)-3-trimethylsilyloxy-5-(trityloxymethyl)oxolan-2-one has a molecular weight of 446.62 g/mol, XLogP of 5.53, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-3-trimethylsilyloxy-5-(trityloxymethyl)oxolan-2-one is sourced from PubChem (CID 11155064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).