(3R,4S,5R,6R)-5-azido-2-fluoro-6-methyl-3,4-bis(phenylmethoxy)oxane

C20H22FN3O3 — CID 11057757

IUPAC(3R,4S,5R,6R)-5-azido-2-fluoro-6-methyl-3,4-bis(phenylmethoxy)oxane
SMILESC[C@H]1OC(F)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1N=[N+]=[N-]
InChIInChI=1S/C20H22FN3O3/c1-14-17(23-24-22)18(25-12-15-8-4-2-5-9-15)19(20(21)27-14)26-13-16-10-6-3-7-11-16/h2-11,14,17-20H,12-13H2,1H3/t14-,17-,18+,19-,20?/m1/s1
InChIKeyYLBVRENHSZTFHD-QJTRSWFLSA-N
MW371.41 g/mol
LogP4.55
Rot. Bonds7

About (3R,4S,5R,6R)-5-azido-2-fluoro-6-methyl-3,4-bis(phenylmethoxy)oxane

(3R,4S,5R,6R)-5-azido-2-fluoro-6-methyl-3,4-bis(phenylmethoxy)oxane (PubChem CID 11057757) has the molecular formula C20H22FN3O3 and a molecular weight of 371.41 g/mol. Its IUPAC name is (3R,4S,5R,6R)-5-azido-2-fluoro-6-methyl-3,4-bis(phenylmethoxy)oxane.

Molecular Properties

Compound Name(3R,4S,5R,6R)-5-azido-2-fluoro-6-methyl-3,4-bis(phenylmethoxy)oxane
PubChem CID11057757
Molecular FormulaC20H22FN3O3
Molecular Weight371.41 g/mol
Exact Mass371.16
IUPAC Name(3R,4S,5R,6R)-5-azido-2-fluoro-6-methyl-3,4-bis(phenylmethoxy)oxane
SMILESC[C@H]1OC(F)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1N=[N+]=[N-]
InChIInChI=1S/C20H22FN3O3/c1-14-17(23-24-22)18(25-12-15-8-4-2-5-9-15)19(20(21)27-14)26-13-16-10-6-3-7-11-16/h2-11,14,17-20H,12-13H2,1H3/t14-,17-,18+,19-,20?/m1/s1
InChIKeyYLBVRENHSZTFHD-QJTRSWFLSA-N
XLogP4.55
TPSA76.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.41
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

(2R,3R,4R,5S,6S)-5-azido-2,3-dimethoxy-6-methyl-4-phenylmethoxyoxane
CID 101086007
(2R,4R)-2-fluoro-6-methyl-3,4,5-tris(phenylmethoxy)oxane
CID 59270262
(4R,5S)-3-azido-5-[(4-methoxyphenyl)methoxy]-2-methyl-4-phenylmethoxy-6-(phenylmethoxymethyl)oxane
CID 159428449
[(2R,3S,4S,5R,6R)-2-[(2R,3S,4S,5R,6R)-2-acetyloxy-5-azido-6-methyl-4-phenylmethoxyoxan-3-yl]oxy-5-azido-6-methyl-4-phenylmethoxyoxan-3-yl] acetate
CID 11104112
(3R,6S)-3-azido-5-methoxy-2-methyl-6-[(3S,6S)-2-methyl-6-methylsulfanyl-3,5-bis(phenylmethoxy)oxan-4-yl]oxy-4-phenylmethoxyoxane
CID 134831161
4-azido-2-methyl-3,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 3720438
(6S,8S,8aR)-7-azido-6-methyl-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine
CID 174181018
(2R,3R,4R,5S,6S)-3-azido-6-(iodomethyl)-5-methoxy-4-phenylmethoxyoxane-2-thiolate
CID 102598786
[(2R,3R,4S,5R,6R)-3,5-diazido-6-methyl-4-phenylmethoxyoxan-2-yl] 2,2,2-trichloroethanimidate
CID 102078124
(2S,3R,4R,5S,6S)-3-azido-2-[(2S,3S,4R,5R,6S)-5-azido-2-(iodomethyl)-6-methoxy-4-phenylmethoxyoxan-3-yl]oxy-6-(iodomethyl)-5-methoxy-4-phenylmethoxyoxane
CID 102598788
(2S,3S,4R)-4-azido-2-methyl-3-phenylmethoxy-3,4-dihydro-2H-pyran
CID 10955826
(2R,3R,4R,5R,6R)-5-azido-2-(azidomethyl)-6-chloro-3,4-bis(phenylmethoxy)oxane
CID 154149684

Frequently Asked Questions

What is the IUPAC name of (3R,4S,5R,6R)-5-azido-2-fluoro-6-methyl-3,4-bis(phenylmethoxy)oxane?
The IUPAC name of (3R,4S,5R,6R)-5-azido-2-fluoro-6-methyl-3,4-bis(phenylmethoxy)oxane (CID 11057757) is (3R,4S,5R,6R)-5-azido-2-fluoro-6-methyl-3,4-bis(phenylmethoxy)oxane.
What is the SMILES notation for (3R,4S,5R,6R)-5-azido-2-fluoro-6-methyl-3,4-bis(phenylmethoxy)oxane?
The canonical SMILES for (3R,4S,5R,6R)-5-azido-2-fluoro-6-methyl-3,4-bis(phenylmethoxy)oxane is C[C@H]1OC(F)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1N=[N+]=[N-].
What is the InChIKey of (3R,4S,5R,6R)-5-azido-2-fluoro-6-methyl-3,4-bis(phenylmethoxy)oxane?
The InChIKey is YLBVRENHSZTFHD-QJTRSWFLSA-N. The full InChI is InChI=1S/C20H22FN3O3/c1-14-17(23-24-22)18(25-12-15-8-4-2-5-9-15)19(20(21)27-14)26-13-16-10-6-3-7-11-16/h2-11,14,17-20H,12-13H2,1H3/t14-,17-,18+,19-,20?/m1/s1.
What are the key properties of (3R,4S,5R,6R)-5-azido-2-fluoro-6-methyl-3,4-bis(phenylmethoxy)oxane?
(3R,4S,5R,6R)-5-azido-2-fluoro-6-methyl-3,4-bis(phenylmethoxy)oxane has a molecular weight of 371.41 g/mol, XLogP of 4.55, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,5R,6R)-5-azido-2-fluoro-6-methyl-3,4-bis(phenylmethoxy)oxane is sourced from PubChem (CID 11057757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).