(3aR,4R,6R,6aR)-4-methoxy-6-(trityloxymethyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3,2]dioxathiole 2-oxide

C25H24O6S — CID 10766059

IUPAC(3aR,4R,6R,6aR)-4-methoxy-6-(trityloxymethyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3,2]dioxathiole 2-oxide
SMILESCO[C@@H]1O[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@H]2OS(=O)O[C@@H]12
InChIInChI=1S/C25H24O6S/c1-27-24-23-22(30-32(26)31-23)21(29-24)17-28-25(18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-16,21-24H,17H2,1H3/t21-,22-,23-,24-,32?/m1/s1
InChIKeyRFQREOQDTMKRJR-FJETXIILSA-N
MW452.53 g/mol
LogP3.73
Rot. Bonds7

About (3aR,4R,6R,6aR)-4-methoxy-6-(trityloxymethyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3,2]dioxathiole 2-oxide

(3aR,4R,6R,6aR)-4-methoxy-6-(trityloxymethyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3,2]dioxathiole 2-oxide (PubChem CID 10766059) has the molecular formula C25H24O6S and a molecular weight of 452.53 g/mol. Its IUPAC name is (3aR,4R,6R,6aR)-4-methoxy-6-(trityloxymethyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3,2]dioxathiole 2-oxide.

Molecular Properties

Compound Name(3aR,4R,6R,6aR)-4-methoxy-6-(trityloxymethyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3,2]dioxathiole 2-oxide
PubChem CID10766059
Molecular FormulaC25H24O6S
Molecular Weight452.53 g/mol
Exact Mass452.13
IUPAC Name(3aR,4R,6R,6aR)-4-methoxy-6-(trityloxymethyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3,2]dioxathiole 2-oxide
SMILESCO[C@@H]1O[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@H]2OS(=O)O[C@@H]12
InChIInChI=1S/C25H24O6S/c1-27-24-23-22(30-32(26)31-23)21(29-24)17-28-25(18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-16,21-24H,17H2,1H3/t21-,22-,23-,24-,32?/m1/s1
InChIKeyRFQREOQDTMKRJR-FJETXIILSA-N
XLogP3.73
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.53
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (3aR,4R,6R,6aR)-4-methoxy-6-(trityloxymethyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3,2]dioxathiole 2-oxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R,2S,4R,5S,6R)-2-methoxy-4-(trityloxymethyl)-3,7-dioxabicyclo[4.1.0]heptan-5-ol
CID 15708619
2-methoxy-5-(trityloxymethyl)oxolane-3,4-diol
CID 618218
(2S,3R,4S,5R)-2-methoxy-5-(trityloxymethyl)oxolane-3,4-diol
CID 70409526
(2S,3R,4R,5S,6S)-2-methoxy-6-(trityloxymethyl)oxane-3,4,5-triol
CID 7332588
(2R,3R,4S,5R,6R)-2-methoxy-6-(trityloxymethyl)oxane-3,4,5-triol
CID 21139713
(2S,3S,5R,6S)-2-methoxy-3,5-dimethyl-6-(trityloxymethyl)oxane
CID 134878021
(2R,3R,4R,5R)-4-fluoro-2-methoxy-5-(trityloxymethyl)oxolan-3-ol
CID 101037426
(2S,3R,4S,5R)-2-methoxy-5-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]oxolane-3,4-diol
CID 102329501
(2S,3S,4S,5S,6R)-2-methoxy-6-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]oxane-3,4,5-triol
CID 10994273
[(2S,3R,4R,5S,6S)-4,5-diacetyloxy-6-methoxy-2-(trityloxymethyl)oxan-3-yl] acetate
CID 92853375
[(2R,3S,4R,5S,6S)-4,5-diacetyloxy-6-methoxy-2-(trityloxymethyl)oxan-3-yl] acetate
CID 171395870
[(2S,3R,4R,5R,6S)-4,5,6-trimethoxy-2-(trityloxymethyl)oxan-3-yl] acetate
CID 11945275

Frequently Asked Questions

What is the IUPAC name of (3aR,4R,6R,6aR)-4-methoxy-6-(trityloxymethyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3,2]dioxathiole 2-oxide?
The IUPAC name of (3aR,4R,6R,6aR)-4-methoxy-6-(trityloxymethyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3,2]dioxathiole 2-oxide (CID 10766059) is (3aR,4R,6R,6aR)-4-methoxy-6-(trityloxymethyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3,2]dioxathiole 2-oxide.
What is the SMILES notation for (3aR,4R,6R,6aR)-4-methoxy-6-(trityloxymethyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3,2]dioxathiole 2-oxide?
The canonical SMILES for (3aR,4R,6R,6aR)-4-methoxy-6-(trityloxymethyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3,2]dioxathiole 2-oxide is CO[C@@H]1O[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@H]2OS(=O)O[C@@H]12.
What is the InChIKey of (3aR,4R,6R,6aR)-4-methoxy-6-(trityloxymethyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3,2]dioxathiole 2-oxide?
The InChIKey is RFQREOQDTMKRJR-FJETXIILSA-N. The full InChI is InChI=1S/C25H24O6S/c1-27-24-23-22(30-32(26)31-23)21(29-24)17-28-25(18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-16,21-24H,17H2,1H3/t21-,22-,23-,24-,32?/m1/s1.
What are the key properties of (3aR,4R,6R,6aR)-4-methoxy-6-(trityloxymethyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3,2]dioxathiole 2-oxide?
(3aR,4R,6R,6aR)-4-methoxy-6-(trityloxymethyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3,2]dioxathiole 2-oxide has a molecular weight of 452.53 g/mol, XLogP of 3.73, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,4R,6R,6aR)-4-methoxy-6-(trityloxymethyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3,2]dioxathiole 2-oxide is sourced from PubChem (CID 10766059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).