[(2R,3R,4R,5S,6R)-3-acetamido-5-fluoro-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-yl] dibenzyl phosphite

C36H39FNO7P — CID 11422362

IUPAC[(2R,3R,4R,5S,6R)-3-acetamido-5-fluoro-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-yl] dibenzyl phosphite
SMILESCC(=O)N[C@H]1[C@@H](OP(OCc2ccccc2)OCc2ccccc2)O[C@H](COCc2ccccc2)[C@@H](F)[C@@H]1OCc1ccccc1
InChIInChI=1S/C36H39FNO7P/c1-27(39)38-34-35(41-23-29-16-8-3-9-17-29)33(37)32(26-40-22-28-14-6-2-7-15-28)44-36(34)45-46(42-24-30-18-10-4-11-19-30)43-25-31-20-12-5-13-21-31/h2-21,32-36H,22-26H2,1H3,(H,38,39)/t32-,33-,34-,35+,36-/m1/s1
InChIKeyLGJLHQLIBNWGLH-ZDWVFLJMSA-N
MW647.68 g/mol
LogP7.03
Rot. Bonds16

About [(2R,3R,4R,5S,6R)-3-acetamido-5-fluoro-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-yl] dibenzyl phosphite

[(2R,3R,4R,5S,6R)-3-acetamido-5-fluoro-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-yl] dibenzyl phosphite (PubChem CID 11422362) has the molecular formula C36H39FNO7P and a molecular weight of 647.68 g/mol. Its IUPAC name is [(2R,3R,4R,5S,6R)-3-acetamido-5-fluoro-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-yl] dibenzyl phosphite.

Molecular Properties

Compound Name[(2R,3R,4R,5S,6R)-3-acetamido-5-fluoro-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-yl] dibenzyl phosphite
PubChem CID11422362
Molecular FormulaC36H39FNO7P
Molecular Weight647.68 g/mol
Exact Mass647.24
IUPAC Name[(2R,3R,4R,5S,6R)-3-acetamido-5-fluoro-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-yl] dibenzyl phosphite
SMILESCC(=O)N[C@H]1[C@@H](OP(OCc2ccccc2)OCc2ccccc2)O[C@H](COCc2ccccc2)[C@@H](F)[C@@H]1OCc1ccccc1
InChIInChI=1S/C36H39FNO7P/c1-27(39)38-34-35(41-23-29-16-8-3-9-17-29)33(37)32(26-40-22-28-14-6-2-7-15-28)44-36(34)45-46(42-24-30-18-10-4-11-19-30)43-25-31-20-12-5-13-21-31/h2-21,32-36H,22-26H2,1H3,(H,38,39)/t32-,33-,34-,35+,36-/m1/s1
InChIKeyLGJLHQLIBNWGLH-ZDWVFLJMSA-N
XLogP7.03
TPSA84.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds16
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500647.68
LogP ≤ 57.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze [(2R,3R,4R,5S,6R)-3-acetamido-5-fluoro-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-yl] dibenzyl phosphite with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[5-fluoro-2-hydroxy-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-3-yl]acetamide
CID 72762659
N-[(3R,4R,5S,6R)-2,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]acetamide
CID 45050683
N-[(3R,4R,5S,6R)-2-ethoxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]acetamide
CID 102583190
[3-acetamido-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl] acetate
CID 561002
N-[(2S,3R,4R,5S,6R)-5-hydroxy-2-methoxy-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-3-yl]acetamide
CID 11200838
N-[(4R,5R)-2-phenoxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]acetamide
CID 146030326
N-[(2S,4R,5R)-2-phenoxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]acetamide
CID 91612903
N-[(2R,3S,4R,5R,6R)-2-hydroxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]acetamide
CID 124526322
[(2S,3R,4R,5R,6R)-3-acetamido-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl] benzoate
CID 91699496
N-[(2S,3S,4R,5S,6R)-2,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-4-prop-2-enoxyoxan-3-yl]acetamide
CID 66860325
N-[(2S,3R,4R,5S,6R)-5-[(2S,3R,4R,5R,6R)-3-hydroxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-2,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]acetamide
CID 122699309
N-[(1S,2R,3R,4R,5S)-3-[(2R,3R,4R,5S,6R)-3-acetamido-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-2-phenylmethoxy-5-(phenylmethoxyamino)-4-(phenylmethoxymethyl)cyclopentyl]acetamide
CID 11083576

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4R,5S,6R)-3-acetamido-5-fluoro-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-yl] dibenzyl phosphite?
The IUPAC name of [(2R,3R,4R,5S,6R)-3-acetamido-5-fluoro-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-yl] dibenzyl phosphite (CID 11422362) is [(2R,3R,4R,5S,6R)-3-acetamido-5-fluoro-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-yl] dibenzyl phosphite.
What is the SMILES notation for [(2R,3R,4R,5S,6R)-3-acetamido-5-fluoro-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-yl] dibenzyl phosphite?
The canonical SMILES for [(2R,3R,4R,5S,6R)-3-acetamido-5-fluoro-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-yl] dibenzyl phosphite is CC(=O)N[C@H]1[C@@H](OP(OCc2ccccc2)OCc2ccccc2)O[C@H](COCc2ccccc2)[C@@H](F)[C@@H]1OCc1ccccc1.
What is the InChIKey of [(2R,3R,4R,5S,6R)-3-acetamido-5-fluoro-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-yl] dibenzyl phosphite?
The InChIKey is LGJLHQLIBNWGLH-ZDWVFLJMSA-N. The full InChI is InChI=1S/C36H39FNO7P/c1-27(39)38-34-35(41-23-29-16-8-3-9-17-29)33(37)32(26-40-22-28-14-6-2-7-15-28)44-36(34)45-46(42-24-30-18-10-4-11-19-30)43-25-31-20-12-5-13-21-31/h2-21,32-36H,22-26H2,1H3,(H,38,39)/t32-,33-,34-,35+,36-/m1/s1.
What are the key properties of [(2R,3R,4R,5S,6R)-3-acetamido-5-fluoro-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-yl] dibenzyl phosphite?
[(2R,3R,4R,5S,6R)-3-acetamido-5-fluoro-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-yl] dibenzyl phosphite has a molecular weight of 647.68 g/mol, XLogP of 7.03, 16 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,4R,5S,6R)-3-acetamido-5-fluoro-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-yl] dibenzyl phosphite is sourced from PubChem (CID 11422362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).