(3aS,5R,6R,6aR)-6-fluoro-2,2-dimethyl-5-(trityloxymethyl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole

C27H27FO4 — CID 158314351

IUPAC(3aS,5R,6R,6aR)-6-fluoro-2,2-dimethyl-5-(trityloxymethyl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole
SMILESCC1(C)O[C@@H]2O[C@H](COC(c3ccccc3)(c3ccccc3)c3ccccc3)[C@@H](F)[C@@H]2O1
InChIInChI=1S/C27H27FO4/c1-26(2)31-24-23(28)22(30-25(24)32-26)18-29-27(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21/h3-17,22-25H,18H2,1-2H3/t22-,23-,24+,25+/m1/s1
InChIKeyGOBPSCDNTLOASG-NGSHPTGOSA-N
MW434.51 g/mol
LogP5.21
Rot. Bonds6

About (3aS,5R,6R,6aR)-6-fluoro-2,2-dimethyl-5-(trityloxymethyl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole

(3aS,5R,6R,6aR)-6-fluoro-2,2-dimethyl-5-(trityloxymethyl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole (PubChem CID 158314351) has the molecular formula C27H27FO4 and a molecular weight of 434.51 g/mol. Its IUPAC name is (3aS,5R,6R,6aR)-6-fluoro-2,2-dimethyl-5-(trityloxymethyl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole.

Molecular Properties

Compound Name(3aS,5R,6R,6aR)-6-fluoro-2,2-dimethyl-5-(trityloxymethyl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole
PubChem CID158314351
Molecular FormulaC27H27FO4
Molecular Weight434.51 g/mol
Exact Mass434.19
IUPAC Name(3aS,5R,6R,6aR)-6-fluoro-2,2-dimethyl-5-(trityloxymethyl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole
SMILESCC1(C)O[C@@H]2O[C@H](COC(c3ccccc3)(c3ccccc3)c3ccccc3)[C@@H](F)[C@@H]2O1
InChIInChI=1S/C27H27FO4/c1-26(2)31-24-23(28)22(30-25(24)32-26)18-29-27(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21/h3-17,22-25H,18H2,1-2H3/t22-,23-,24+,25+/m1/s1
InChIKeyGOBPSCDNTLOASG-NGSHPTGOSA-N
XLogP5.21
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.51
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (3aS,5R,6R,6aR)-6-fluoro-2,2-dimethyl-5-(trityloxymethyl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (3aS,5R,6R,6aR)-6-fluoro-2,2-dimethyl-5-(trityloxymethyl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole?
The IUPAC name of (3aS,5R,6R,6aR)-6-fluoro-2,2-dimethyl-5-(trityloxymethyl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole (CID 158314351) is (3aS,5R,6R,6aR)-6-fluoro-2,2-dimethyl-5-(trityloxymethyl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole.
What is the SMILES notation for (3aS,5R,6R,6aR)-6-fluoro-2,2-dimethyl-5-(trityloxymethyl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole?
The canonical SMILES for (3aS,5R,6R,6aR)-6-fluoro-2,2-dimethyl-5-(trityloxymethyl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole is CC1(C)O[C@@H]2O[C@H](COC(c3ccccc3)(c3ccccc3)c3ccccc3)[C@@H](F)[C@@H]2O1.
What is the InChIKey of (3aS,5R,6R,6aR)-6-fluoro-2,2-dimethyl-5-(trityloxymethyl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole?
The InChIKey is GOBPSCDNTLOASG-NGSHPTGOSA-N. The full InChI is InChI=1S/C27H27FO4/c1-26(2)31-24-23(28)22(30-25(24)32-26)18-29-27(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21/h3-17,22-25H,18H2,1-2H3/t22-,23-,24+,25+/m1/s1.
What are the key properties of (3aS,5R,6R,6aR)-6-fluoro-2,2-dimethyl-5-(trityloxymethyl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole?
(3aS,5R,6R,6aR)-6-fluoro-2,2-dimethyl-5-(trityloxymethyl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole has a molecular weight of 434.51 g/mol, XLogP of 5.21, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,5R,6R,6aR)-6-fluoro-2,2-dimethyl-5-(trityloxymethyl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole is sourced from PubChem (CID 158314351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).