tert-butyl N-[(2R)-3-bis(phenylmethoxy)phosphoryloxy-2-fluoro-3-methylbutyl]carbamate

C24H33FNO6P — CID 118424356

IUPACtert-butyl N-[(2R)-3-bis(phenylmethoxy)phosphoryloxy-2-fluoro-3-methylbutyl]carbamate
SMILESCC(C)(C)OC(=O)NC[C@@H](F)C(C)(C)OP(=O)(OCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C24H33FNO6P/c1-23(2,3)31-22(27)26-16-21(25)24(4,5)32-33(28,29-17-19-12-8-6-9-13-19)30-18-20-14-10-7-11-15-20/h6-15,21H,16-18H2,1-5H3,(H,26,27)/t21-/m1/s1
InChIKeyZCURWLCATCZRGQ-OAQYLSRUSA-N
MW481.50 g/mol
LogP6.19
Rot. Bonds11

About tert-butyl N-[(2R)-3-bis(phenylmethoxy)phosphoryloxy-2-fluoro-3-methylbutyl]carbamate

tert-butyl N-[(2R)-3-bis(phenylmethoxy)phosphoryloxy-2-fluoro-3-methylbutyl]carbamate (PubChem CID 118424356) has the molecular formula C24H33FNO6P and a molecular weight of 481.50 g/mol. Its IUPAC name is tert-butyl N-[(2R)-3-bis(phenylmethoxy)phosphoryloxy-2-fluoro-3-methylbutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R)-3-bis(phenylmethoxy)phosphoryloxy-2-fluoro-3-methylbutyl]carbamate
PubChem CID118424356
Molecular FormulaC24H33FNO6P
Molecular Weight481.50 g/mol
Exact Mass481.20
IUPAC Nametert-butyl N-[(2R)-3-bis(phenylmethoxy)phosphoryloxy-2-fluoro-3-methylbutyl]carbamate
SMILESCC(C)(C)OC(=O)NC[C@@H](F)C(C)(C)OP(=O)(OCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C24H33FNO6P/c1-23(2,3)31-22(27)26-16-21(25)24(4,5)32-33(28,29-17-19-12-8-6-9-13-19)30-18-20-14-10-7-11-15-20/h6-15,21H,16-18H2,1-5H3,(H,26,27)/t21-/m1/s1
InChIKeyZCURWLCATCZRGQ-OAQYLSRUSA-N
XLogP6.19
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.50
LogP ≤ 56.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

benzyl (2S)-2-amino-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate;hydrochloride
CID 122173606
benzyl N-[2-fluoro-3-methyl-3-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]butyl]carbamate
CID 138695393
tert-butyl N-[[[bromo-[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-phenylmethoxyphosphoryl]methyl]carbamate
CID 67707242
tert-butyl N-[(2S,3R)-3-fluoro-2-hydroxy-4-phenylmethoxybutyl]carbamate
CID 140879382
tert-butyl N-[(2R)-3-[cyclohexylmethyl(phenylmethoxy)phosphoryl]-2-hydroxypropyl]carbamate
CID 68622142
tert-butyl N-[[(4R,5R)-5-[bis(phenylmethoxy)phosphoryloxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]carbamate
CID 11713361
[(2R)-1-dimethoxyphosphoryloxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl] benzoate
CID 25155240
benzyl (2R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(phenylmethoxycarbonylamino)propanoate
CID 124930565
benzyl N-[3,3-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]butan-2-yl]carbamate
CID 77305296
[1-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(phenylmethoxycarbonylamino)propan-2-yl] methanesulfonate
CID 167171352
tert-butyl N-[2-fluoro-2-(3-phenylmethoxyoxetan-3-yl)ethyl]carbamate
CID 162343051
benzyl tert-butyl hydrogen phosphate
CID 140989025

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R)-3-bis(phenylmethoxy)phosphoryloxy-2-fluoro-3-methylbutyl]carbamate?
The IUPAC name of tert-butyl N-[(2R)-3-bis(phenylmethoxy)phosphoryloxy-2-fluoro-3-methylbutyl]carbamate (CID 118424356) is tert-butyl N-[(2R)-3-bis(phenylmethoxy)phosphoryloxy-2-fluoro-3-methylbutyl]carbamate.
What is the SMILES notation for tert-butyl N-[(2R)-3-bis(phenylmethoxy)phosphoryloxy-2-fluoro-3-methylbutyl]carbamate?
The canonical SMILES for tert-butyl N-[(2R)-3-bis(phenylmethoxy)phosphoryloxy-2-fluoro-3-methylbutyl]carbamate is CC(C)(C)OC(=O)NC[C@@H](F)C(C)(C)OP(=O)(OCc1ccccc1)OCc1ccccc1.
What is the InChIKey of tert-butyl N-[(2R)-3-bis(phenylmethoxy)phosphoryloxy-2-fluoro-3-methylbutyl]carbamate?
The InChIKey is ZCURWLCATCZRGQ-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H33FNO6P/c1-23(2,3)31-22(27)26-16-21(25)24(4,5)32-33(28,29-17-19-12-8-6-9-13-19)30-18-20-14-10-7-11-15-20/h6-15,21H,16-18H2,1-5H3,(H,26,27)/t21-/m1/s1.
What are the key properties of tert-butyl N-[(2R)-3-bis(phenylmethoxy)phosphoryloxy-2-fluoro-3-methylbutyl]carbamate?
tert-butyl N-[(2R)-3-bis(phenylmethoxy)phosphoryloxy-2-fluoro-3-methylbutyl]carbamate has a molecular weight of 481.50 g/mol, XLogP of 6.19, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R)-3-bis(phenylmethoxy)phosphoryloxy-2-fluoro-3-methylbutyl]carbamate is sourced from PubChem (CID 118424356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).