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

C31H29F2NO3 — CID 126659674

IUPAC[(3R)-4-amino-4-(2,3-difluorophenyl)-2-(trityloxymethyl)oxolan-3-yl]methanol
SMILESNC1(c2cccc(F)c2F)COC(COC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@H]1CO
InChIInChI=1S/C31H29F2NO3/c32-27-18-10-17-25(29(27)33)30(34)21-36-28(26(30)19-35)20-37-31(22-11-4-1-5-12-22,23-13-6-2-7-14-23)24-15-8-3-9-16-24/h1-18,26,28,35H,19-21,34H2/t26-,28?,30?/m1/s1
InChIKeyVEOCJGKSDRQOBI-OMJZMDCHSA-N
MW501.57 g/mol
LogP5.13
Rot. Bonds8

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

[(3R)-4-amino-4-(2,3-difluorophenyl)-2-(trityloxymethyl)oxolan-3-yl]methanol (PubChem CID 126659674) has the molecular formula C31H29F2NO3 and a molecular weight of 501.57 g/mol. Its IUPAC name is [(3R)-4-amino-4-(2,3-difluorophenyl)-2-(trityloxymethyl)oxolan-3-yl]methanol.

Molecular Properties

Compound Name[(3R)-4-amino-4-(2,3-difluorophenyl)-2-(trityloxymethyl)oxolan-3-yl]methanol
PubChem CID126659674
Molecular FormulaC31H29F2NO3
Molecular Weight501.57 g/mol
Exact Mass501.21
IUPAC Name[(3R)-4-amino-4-(2,3-difluorophenyl)-2-(trityloxymethyl)oxolan-3-yl]methanol
SMILESNC1(c2cccc(F)c2F)COC(COC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@H]1CO
InChIInChI=1S/C31H29F2NO3/c32-27-18-10-17-25(29(27)33)30(34)21-36-28(26(30)19-35)20-37-31(22-11-4-1-5-12-22,23-13-6-2-7-14-23)24-15-8-3-9-16-24/h1-18,26,28,35H,19-21,34H2/t26-,28?,30?/m1/s1
InChIKeyVEOCJGKSDRQOBI-OMJZMDCHSA-N
XLogP5.13
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.57
LogP ≤ 55.13
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)-4-amino-4-(2,3-difluorophenyl)-2-(trityloxymethyl)oxolan-3-yl]methanol?
The IUPAC name of [(3R)-4-amino-4-(2,3-difluorophenyl)-2-(trityloxymethyl)oxolan-3-yl]methanol (CID 126659674) is [(3R)-4-amino-4-(2,3-difluorophenyl)-2-(trityloxymethyl)oxolan-3-yl]methanol.
What is the SMILES notation for [(3R)-4-amino-4-(2,3-difluorophenyl)-2-(trityloxymethyl)oxolan-3-yl]methanol?
The canonical SMILES for [(3R)-4-amino-4-(2,3-difluorophenyl)-2-(trityloxymethyl)oxolan-3-yl]methanol is NC1(c2cccc(F)c2F)COC(COC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@H]1CO.
What is the InChIKey of [(3R)-4-amino-4-(2,3-difluorophenyl)-2-(trityloxymethyl)oxolan-3-yl]methanol?
The InChIKey is VEOCJGKSDRQOBI-OMJZMDCHSA-N. The full InChI is InChI=1S/C31H29F2NO3/c32-27-18-10-17-25(29(27)33)30(34)21-36-28(26(30)19-35)20-37-31(22-11-4-1-5-12-22,23-13-6-2-7-14-23)24-15-8-3-9-16-24/h1-18,26,28,35H,19-21,34H2/t26-,28?,30?/m1/s1.
What are the key properties of [(3R)-4-amino-4-(2,3-difluorophenyl)-2-(trityloxymethyl)oxolan-3-yl]methanol?
[(3R)-4-amino-4-(2,3-difluorophenyl)-2-(trityloxymethyl)oxolan-3-yl]methanol has a molecular weight of 501.57 g/mol, XLogP of 5.13, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-4-amino-4-(2,3-difluorophenyl)-2-(trityloxymethyl)oxolan-3-yl]methanol is sourced from PubChem (CID 126659674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).