[(3R,4S)-4-amino-4-(2-fluorophenyl)-2-(trityloxymethyl)oxolan-3-yl]methanol

C31H30FNO3 — CID 59621314

IUPAC[(3R,4S)-4-amino-4-(2-fluorophenyl)-2-(trityloxymethyl)oxolan-3-yl]methanol
SMILESN[C@@]1(c2ccccc2F)COC(COC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@H]1CO
InChIInChI=1S/C31H30FNO3/c32-28-19-11-10-18-26(28)30(33)22-35-29(27(30)20-34)21-36-31(23-12-4-1-5-13-23,24-14-6-2-7-15-24)25-16-8-3-9-17-25/h1-19,27,29,34H,20-22,33H2/t27-,29?,30-/m1/s1
InChIKeyOLBHOVXDRIUOML-RUNCHOGJSA-N
MW483.58 g/mol
LogP5.00
Rot. Bonds8

About [(3R,4S)-4-amino-4-(2-fluorophenyl)-2-(trityloxymethyl)oxolan-3-yl]methanol

[(3R,4S)-4-amino-4-(2-fluorophenyl)-2-(trityloxymethyl)oxolan-3-yl]methanol (PubChem CID 59621314) has the molecular formula C31H30FNO3 and a molecular weight of 483.58 g/mol. Its IUPAC name is [(3R,4S)-4-amino-4-(2-fluorophenyl)-2-(trityloxymethyl)oxolan-3-yl]methanol.

Molecular Properties

Compound Name[(3R,4S)-4-amino-4-(2-fluorophenyl)-2-(trityloxymethyl)oxolan-3-yl]methanol
PubChem CID59621314
Molecular FormulaC31H30FNO3
Molecular Weight483.58 g/mol
Exact Mass483.22
IUPAC Name[(3R,4S)-4-amino-4-(2-fluorophenyl)-2-(trityloxymethyl)oxolan-3-yl]methanol
SMILESN[C@@]1(c2ccccc2F)COC(COC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@H]1CO
InChIInChI=1S/C31H30FNO3/c32-28-19-11-10-18-26(28)30(33)22-35-29(27(30)20-34)21-36-31(23-12-4-1-5-13-23,24-14-6-2-7-15-24)25-16-8-3-9-17-25/h1-19,27,29,34H,20-22,33H2/t27-,29?,30-/m1/s1
InChIKeyOLBHOVXDRIUOML-RUNCHOGJSA-N
XLogP5.00
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.58
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(3R,4S)-4-amino-4-(2-fluorophenyl)-2-(trityloxymethyl)oxolan-3-yl]methanol?
The IUPAC name of [(3R,4S)-4-amino-4-(2-fluorophenyl)-2-(trityloxymethyl)oxolan-3-yl]methanol (CID 59621314) is [(3R,4S)-4-amino-4-(2-fluorophenyl)-2-(trityloxymethyl)oxolan-3-yl]methanol.
What is the SMILES notation for [(3R,4S)-4-amino-4-(2-fluorophenyl)-2-(trityloxymethyl)oxolan-3-yl]methanol?
The canonical SMILES for [(3R,4S)-4-amino-4-(2-fluorophenyl)-2-(trityloxymethyl)oxolan-3-yl]methanol is N[C@@]1(c2ccccc2F)COC(COC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@H]1CO.
What is the InChIKey of [(3R,4S)-4-amino-4-(2-fluorophenyl)-2-(trityloxymethyl)oxolan-3-yl]methanol?
The InChIKey is OLBHOVXDRIUOML-RUNCHOGJSA-N. The full InChI is InChI=1S/C31H30FNO3/c32-28-19-11-10-18-26(28)30(33)22-35-29(27(30)20-34)21-36-31(23-12-4-1-5-13-23,24-14-6-2-7-15-24)25-16-8-3-9-17-25/h1-19,27,29,34H,20-22,33H2/t27-,29?,30-/m1/s1.
What are the key properties of [(3R,4S)-4-amino-4-(2-fluorophenyl)-2-(trityloxymethyl)oxolan-3-yl]methanol?
[(3R,4S)-4-amino-4-(2-fluorophenyl)-2-(trityloxymethyl)oxolan-3-yl]methanol has a molecular weight of 483.58 g/mol, XLogP of 5.00, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4S)-4-amino-4-(2-fluorophenyl)-2-(trityloxymethyl)oxolan-3-yl]methanol is sourced from PubChem (CID 59621314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).