(3S,4S,5S)-3,4-dimethyl-5-(trityloxymethyl)oxolan-2-one

C26H26O3 — CID 11632443

IUPAC(3S,4S,5S)-3,4-dimethyl-5-(trityloxymethyl)oxolan-2-one
SMILESC[C@H]1[C@H](C)C(=O)O[C@@H]1COC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H26O3/c1-19-20(2)25(27)29-24(19)18-28-26(21-12-6-3-7-13-21,22-14-8-4-9-15-22)23-16-10-5-11-17-23/h3-17,19-20,24H,18H2,1-2H3/t19-,20-,24+/m0/s1
InChIKeyUGMFCYCQLRVXDC-MZLICYQSSA-N
MW386.49 g/mol
LogP5.19
Rot. Bonds6

About (3S,4S,5S)-3,4-dimethyl-5-(trityloxymethyl)oxolan-2-one

(3S,4S,5S)-3,4-dimethyl-5-(trityloxymethyl)oxolan-2-one (PubChem CID 11632443) has the molecular formula C26H26O3 and a molecular weight of 386.49 g/mol. Its IUPAC name is (3S,4S,5S)-3,4-dimethyl-5-(trityloxymethyl)oxolan-2-one.

Molecular Properties

Compound Name(3S,4S,5S)-3,4-dimethyl-5-(trityloxymethyl)oxolan-2-one
PubChem CID11632443
Molecular FormulaC26H26O3
Molecular Weight386.49 g/mol
Exact Mass386.19
IUPAC Name(3S,4S,5S)-3,4-dimethyl-5-(trityloxymethyl)oxolan-2-one
SMILESC[C@H]1[C@H](C)C(=O)O[C@@H]1COC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H26O3/c1-19-20(2)25(27)29-24(19)18-28-26(21-12-6-3-7-13-21,22-14-8-4-9-15-22)23-16-10-5-11-17-23/h3-17,19-20,24H,18H2,1-2H3/t19-,20-,24+/m0/s1
InChIKeyUGMFCYCQLRVXDC-MZLICYQSSA-N
XLogP5.19
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.49
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3S,4R,5R)-3,4-dimethyl-5-(trityloxymethyl)oxolan-2-one
CID 10949057
(3R,4S,5S)-3,4-bis(2-methoxyethoxymethoxy)-5-(trityloxymethyl)oxolan-2-one
CID 11649844
(3S,4R,5R)-3,4-dihydroxy-3-(hydroxymethyl)-5-(trityloxymethyl)oxolan-2-one
CID 134934788
2-phenyl-3-(trityloxymethyl)oxirane
CID 23443485
(2S,3R)-2-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]-3-methyloxirane
CID 10861318
(3S,5S)-3-hydroxy-5-(trityloxymethyl)oxolan-2-one
CID 15478722
(3R,5S)-3-trimethylsilyloxy-5-(trityloxymethyl)oxolan-2-one
CID 11155064
(2R,4S)-2-methyl-4-(trityloxymethyl)-1,3-dioxan-5-one
CID 102066270
(3R,4R,5S)-3-[(R)-(3,4-dimethoxyphenyl)-hydroxymethyl]-4-hydroxy-5-(trityloxymethyl)oxolan-2-one
CID 101138995
(2S,3S,5R,6S)-2-methoxy-3,5-dimethyl-6-(trityloxymethyl)oxane
CID 134878021
5-(trityloxymethyl)-1,3-oxazolidin-2-one
CID 10109102
(3R,4S)-3-methyl-4-(phenylmethoxymethyl)oxetan-2-one
CID 134988868

Frequently Asked Questions

What is the IUPAC name of (3S,4S,5S)-3,4-dimethyl-5-(trityloxymethyl)oxolan-2-one?
The IUPAC name of (3S,4S,5S)-3,4-dimethyl-5-(trityloxymethyl)oxolan-2-one (CID 11632443) is (3S,4S,5S)-3,4-dimethyl-5-(trityloxymethyl)oxolan-2-one.
What is the SMILES notation for (3S,4S,5S)-3,4-dimethyl-5-(trityloxymethyl)oxolan-2-one?
The canonical SMILES for (3S,4S,5S)-3,4-dimethyl-5-(trityloxymethyl)oxolan-2-one is C[C@H]1[C@H](C)C(=O)O[C@@H]1COC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (3S,4S,5S)-3,4-dimethyl-5-(trityloxymethyl)oxolan-2-one?
The InChIKey is UGMFCYCQLRVXDC-MZLICYQSSA-N. The full InChI is InChI=1S/C26H26O3/c1-19-20(2)25(27)29-24(19)18-28-26(21-12-6-3-7-13-21,22-14-8-4-9-15-22)23-16-10-5-11-17-23/h3-17,19-20,24H,18H2,1-2H3/t19-,20-,24+/m0/s1.
What are the key properties of (3S,4S,5S)-3,4-dimethyl-5-(trityloxymethyl)oxolan-2-one?
(3S,4S,5S)-3,4-dimethyl-5-(trityloxymethyl)oxolan-2-one has a molecular weight of 386.49 g/mol, XLogP of 5.19, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S,5S)-3,4-dimethyl-5-(trityloxymethyl)oxolan-2-one is sourced from PubChem (CID 11632443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).