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

C27H28FN3O4 — CID 10457741

IUPAC(2R,3R,4R,5S,6R)-3-azido-2-fluoro-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
SMILES[N-]=[N+]=N[C@@H]1[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H](COCc2ccccc2)O[C@@H]1F
InChIInChI=1S/C27H28FN3O4/c28-27-24(30-31-29)26(34-18-22-14-8-3-9-15-22)25(33-17-21-12-6-2-7-13-21)23(35-27)19-32-16-20-10-4-1-5-11-20/h1-15,23-27H,16-19H2/t23-,24-,25-,26-,27+/m1/s1
InChIKeyFHYWHTCMYPMRRX-ACFIUOAZSA-N
MW477.54 g/mol
LogP5.75
Rot. Bonds11

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

(2R,3R,4R,5S,6R)-3-azido-2-fluoro-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane (PubChem CID 10457741) has the molecular formula C27H28FN3O4 and a molecular weight of 477.54 g/mol. Its IUPAC name is (2R,3R,4R,5S,6R)-3-azido-2-fluoro-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane.

Molecular Properties

Compound Name(2R,3R,4R,5S,6R)-3-azido-2-fluoro-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
PubChem CID10457741
Molecular FormulaC27H28FN3O4
Molecular Weight477.54 g/mol
Exact Mass477.21
IUPAC Name(2R,3R,4R,5S,6R)-3-azido-2-fluoro-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
SMILES[N-]=[N+]=N[C@@H]1[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H](COCc2ccccc2)O[C@@H]1F
InChIInChI=1S/C27H28FN3O4/c28-27-24(30-31-29)26(34-18-22-14-8-3-9-15-22)25(33-17-21-12-6-2-7-13-21)23(35-27)19-32-16-20-10-4-1-5-11-20/h1-15,23-27H,16-19H2/t23-,24-,25-,26-,27+/m1/s1
InChIKeyFHYWHTCMYPMRRX-ACFIUOAZSA-N
XLogP5.75
TPSA85.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.54
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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'}

Analyze (2R,3R,4R,5S,6R)-3-azido-2-fluoro-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane with MolForge

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Related Compounds

Uoxlcnzvjydkil-salivdarsa-
CID 21671334
(3R,4R,5R,6R)-3-azido-2-fluoro-6-methyl-4,5-bis(phenylmethoxy)oxane
CID 12041215
[(2R,3R,4R,5R,6S)-5-azido-6-fluoro-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl] 2,2,3,3,3-pentafluoropropanoate
CID 102322667
(2R,4aS,6S,7R,8S,8aR)-7-azido-8-fluoro-2-phenyl-6-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine
CID 134934195
(2R,4aS,6S,7S,8R,8aR)-7-azido-8-fluoro-2-phenyl-6-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine
CID 134934464
(2R,4aS,7R,8R,8aS)-8-azido-6-fluoro-2-phenyl-7-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine
CID 134934465
(2R,4aS,6S,7S,8R,8aS)-8-azido-7-fluoro-2-phenyl-6-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine
CID 134934720
[(2R,3R,4R,5R,6R)-5-azido-6-fluoro-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl] 2,2,3,3,3-pentafluoropropanoate
CID 134938077
allyl 6-azido-3,4-di-O-benzyl-2,6-dideoxy-2,2-difluoro-beta-d-arabino-hexopyranoside
CID 155804117
allyl 6-azido-2,4-di-O-benzyl-3,6-dideoxy-3,3-difluoro-beta-d-ribo-hexopyranoside
CID 155804118
(5R,6R,7S,8R)-6,7,8-tris(phenylmethoxy)-5-(phenylmethoxymethyl)-4-oxa-1,2-diazaspiro[2.5]oct-1-ene
CID 11017093
(2S,3R,4S,5R,6R)-2-azido-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 11699739

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5S,6R)-3-azido-2-fluoro-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane?
The IUPAC name of (2R,3R,4R,5S,6R)-3-azido-2-fluoro-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane (CID 10457741) is (2R,3R,4R,5S,6R)-3-azido-2-fluoro-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane.
What is the SMILES notation for (2R,3R,4R,5S,6R)-3-azido-2-fluoro-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane?
The canonical SMILES for (2R,3R,4R,5S,6R)-3-azido-2-fluoro-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane is [N-]=[N+]=N[C@@H]1[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H](COCc2ccccc2)O[C@@H]1F.
What is the InChIKey of (2R,3R,4R,5S,6R)-3-azido-2-fluoro-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane?
The InChIKey is FHYWHTCMYPMRRX-ACFIUOAZSA-N. The full InChI is InChI=1S/C27H28FN3O4/c28-27-24(30-31-29)26(34-18-22-14-8-3-9-15-22)25(33-17-21-12-6-2-7-13-21)23(35-27)19-32-16-20-10-4-1-5-11-20/h1-15,23-27H,16-19H2/t23-,24-,25-,26-,27+/m1/s1.
What are the key properties of (2R,3R,4R,5S,6R)-3-azido-2-fluoro-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane?
(2R,3R,4R,5S,6R)-3-azido-2-fluoro-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane has a molecular weight of 477.54 g/mol, XLogP of 5.75, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5S,6R)-3-azido-2-fluoro-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane is sourced from PubChem (CID 10457741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).