dimethyl 2-[2,2-dimethyl-6-(trityloxymethyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-1,2-oxazolidine-3,5-dicarboxylate

C34H37NO9 — CID 618391

IUPACdimethyl 2-[2,2-dimethyl-6-(trityloxymethyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-1,2-oxazolidine-3,5-dicarboxylate
SMILESCOC(=O)C1CC(C(=O)OC)N(C2OC(COC(c3ccccc3)(c3ccccc3)c3ccccc3)C3OC(C)(C)OC32)O1
InChIInChI=1S/C34H37NO9/c1-33(2)42-28-27(41-30(29(28)43-33)35-25(31(36)38-3)20-26(44-35)32(37)39-4)21-40-34(22-14-8-5-9-15-22,23-16-10-6-11-17-23)24-18-12-7-13-19-24/h5-19,25-30H,20-21H2,1-4H3
InChIKeyBHZPVFXWHWCVRP-UHFFFAOYSA-N
MW603.67 g/mol
LogP3.96
Rot. Bonds9

About dimethyl 2-[2,2-dimethyl-6-(trityloxymethyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-1,2-oxazolidine-3,5-dicarboxylate

dimethyl 2-[2,2-dimethyl-6-(trityloxymethyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-1,2-oxazolidine-3,5-dicarboxylate (PubChem CID 618391) has the molecular formula C34H37NO9 and a molecular weight of 603.67 g/mol. Its IUPAC name is dimethyl 2-[2,2-dimethyl-6-(trityloxymethyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-1,2-oxazolidine-3,5-dicarboxylate.

Molecular Properties

Compound Namedimethyl 2-[2,2-dimethyl-6-(trityloxymethyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-1,2-oxazolidine-3,5-dicarboxylate
PubChem CID618391
Molecular FormulaC34H37NO9
Molecular Weight603.67 g/mol
Exact Mass603.25
IUPAC Namedimethyl 2-[2,2-dimethyl-6-(trityloxymethyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-1,2-oxazolidine-3,5-dicarboxylate
SMILESCOC(=O)C1CC(C(=O)OC)N(C2OC(COC(c3ccccc3)(c3ccccc3)c3ccccc3)C3OC(C)(C)OC32)O1
InChIInChI=1S/C34H37NO9/c1-33(2)42-28-27(41-30(29(28)43-33)35-25(31(36)38-3)20-26(44-35)32(37)39-4)21-40-34(22-14-8-5-9-15-22,23-16-10-6-11-17-23)24-18-12-7-13-19-24/h5-19,25-30H,20-21H2,1-4H3
InChIKeyBHZPVFXWHWCVRP-UHFFFAOYSA-N
XLogP3.96
TPSA101.99 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500603.67
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze dimethyl 2-[2,2-dimethyl-6-(trityloxymethyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-1,2-oxazolidine-3,5-dicarboxylate with MolForge

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Related Compounds

1-[(3aR,4R,6R,6aR)-2,2-dimethyl-6-(trityloxymethyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-2,3-dihydroindole
CID 101350087
2-[(3aS,4S,6R,6aR)-2,2-dimethyl-6-(trityloxymethyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-3-aminoprop-2-enamide
CID 70603323
1-[(3aR,4R,6R,6aR)-2,2-dimethyl-6-(trityloxymethyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-5,6-dimethyl-2,3-dihydroindole
CID 101350088
[(3aR,5R,6S,6aR)-2,2-dimethyl-5-(trityloxymethyl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] acetate
CID 102013121
9-[(3aR,4S,6S,6aS)-2,2-dimethyl-6-(trityloxymethyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-1H-purin-6-one
CID 136811101
1-[(3aR,4R,6R,6aR)-2,2-dimethyl-6-(trityloxymethyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-4-(hydroxyamino)-5-propylpyrimidin-2-one
CID 87409018
(3aR,5R,6R)-2,2-dimethyl-5-(trityloxymethyl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol
CID 155766260
(2S)-2-[(3aS,4R,6R,6aR)-2,2-dimethyl-6-(trityloxymethyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-N,N-diethyl-2-hydroxyacetamide
CID 134930888
9-[(3aR,4R,6R,6aR)-2,2-dimethyl-6-(trityloxymethyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-2-iodopurin-6-amine
CID 10794610
[2-[(3aS,6R,6aR)-2,2-dimethyl-6-(trityloxymethyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-3-oxoprop-1-enylidene]azanide
CID 135712955
[(4aS,6R,7S,7aR)-2,2-dimethyl-6-(trityloxymethyl)-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxin-7-yl] acetate
CID 126968723
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 dimethyl 2-[2,2-dimethyl-6-(trityloxymethyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-1,2-oxazolidine-3,5-dicarboxylate?
The IUPAC name of dimethyl 2-[2,2-dimethyl-6-(trityloxymethyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-1,2-oxazolidine-3,5-dicarboxylate (CID 618391) is dimethyl 2-[2,2-dimethyl-6-(trityloxymethyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-1,2-oxazolidine-3,5-dicarboxylate.
What is the SMILES notation for dimethyl 2-[2,2-dimethyl-6-(trityloxymethyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-1,2-oxazolidine-3,5-dicarboxylate?
The canonical SMILES for dimethyl 2-[2,2-dimethyl-6-(trityloxymethyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-1,2-oxazolidine-3,5-dicarboxylate is COC(=O)C1CC(C(=O)OC)N(C2OC(COC(c3ccccc3)(c3ccccc3)c3ccccc3)C3OC(C)(C)OC32)O1.
What is the InChIKey of dimethyl 2-[2,2-dimethyl-6-(trityloxymethyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-1,2-oxazolidine-3,5-dicarboxylate?
The InChIKey is BHZPVFXWHWCVRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H37NO9/c1-33(2)42-28-27(41-30(29(28)43-33)35-25(31(36)38-3)20-26(44-35)32(37)39-4)21-40-34(22-14-8-5-9-15-22,23-16-10-6-11-17-23)24-18-12-7-13-19-24/h5-19,25-30H,20-21H2,1-4H3.
What are the key properties of dimethyl 2-[2,2-dimethyl-6-(trityloxymethyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-1,2-oxazolidine-3,5-dicarboxylate?
dimethyl 2-[2,2-dimethyl-6-(trityloxymethyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-1,2-oxazolidine-3,5-dicarboxylate has a molecular weight of 603.67 g/mol, XLogP of 3.96, 9 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-[2,2-dimethyl-6-(trityloxymethyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-1,2-oxazolidine-3,5-dicarboxylate is sourced from PubChem (CID 618391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).