(2S,3S,4S,5R,6R)-5-azido-4-fluoro-2-methoxy-6-methyl-3-phenylmethoxyoxane

C14H18FN3O3 — CID 134934457

IUPAC(2S,3S,4S,5R,6R)-5-azido-4-fluoro-2-methoxy-6-methyl-3-phenylmethoxyoxane
SMILESCO[C@H]1O[C@H](C)[C@@H](N=[N+]=[N-])[C@H](F)[C@H]1OCc1ccccc1
InChIInChI=1S/C14H18FN3O3/c1-9-12(17-18-16)11(15)13(14(19-2)21-9)20-8-10-6-4-3-5-7-10/h3-7,9,11-14H,8H2,1-2H3/t9-,11+,12-,13-,14+/m1/s1
InChIKeyMTXYHYXQUQAOSL-WJUUCBRBSA-N
MW295.31 g/mol
LogP2.98
Rot. Bonds5

About (2S,3S,4S,5R,6R)-5-azido-4-fluoro-2-methoxy-6-methyl-3-phenylmethoxyoxane

(2S,3S,4S,5R,6R)-5-azido-4-fluoro-2-methoxy-6-methyl-3-phenylmethoxyoxane (PubChem CID 134934457) has the molecular formula C14H18FN3O3 and a molecular weight of 295.31 g/mol. Its IUPAC name is (2S,3S,4S,5R,6R)-5-azido-4-fluoro-2-methoxy-6-methyl-3-phenylmethoxyoxane.

Molecular Properties

Compound Name(2S,3S,4S,5R,6R)-5-azido-4-fluoro-2-methoxy-6-methyl-3-phenylmethoxyoxane
PubChem CID134934457
Molecular FormulaC14H18FN3O3
Molecular Weight295.31 g/mol
Exact Mass295.13
IUPAC Name(2S,3S,4S,5R,6R)-5-azido-4-fluoro-2-methoxy-6-methyl-3-phenylmethoxyoxane
SMILESCO[C@H]1O[C@H](C)[C@@H](N=[N+]=[N-])[C@H](F)[C@H]1OCc1ccccc1
InChIInChI=1S/C14H18FN3O3/c1-9-12(17-18-16)11(15)13(14(19-2)21-9)20-8-10-6-4-3-5-7-10/h3-7,9,11-14H,8H2,1-2H3/t9-,11+,12-,13-,14+/m1/s1
InChIKeyMTXYHYXQUQAOSL-WJUUCBRBSA-N
XLogP2.98
TPSA76.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 52.98
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'}

Analyze (2S,3S,4S,5R,6R)-5-azido-4-fluoro-2-methoxy-6-methyl-3-phenylmethoxyoxane with MolForge

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Launch Full Analysis

Related Compounds

(4S)-4-[(1R)-2-Azido-1-(benzyloxy)ethyl]-2,2-dimethyl-1,3-dioxolane
CID 16217272
6-Methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-amine
CID 326201
(2R,3S,4S,5R,6S)-4-azido-6-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-5-[(4-fluorophenyl)methoxy]-2-(hydroxymethyl)oxan-3-ol
CID 177655189
(2R,3S,4S,5R,6R)-4-azido-6-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-5-[(4-fluorophenyl)methoxy]-2-(hydroxymethyl)oxan-3-ol
CID 177655360
Uoxlcnzvjydkil-salivdarsa-
CID 21671334
Agn-PC-00efma
CID 4190357
D-Glucopyranose, 2-azido-2-deoxy-3,4-bis-o-(phenylmethyl)-1,6-diacetate
CID 12775727
(3R,4R,5R,6R)-3-azido-2-fluoro-6-methyl-4,5-bis(phenylmethoxy)oxane
CID 12041215
(2S,3R,5S,6R)-5-fluoro-2-methoxy-6-methyl-3-phenylmethoxyoxane
CID 15000118
(2R,4aR,6S,7S,8S,8aS)-8-azido-7-fluoro-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine
CID 21586038
(2R,4aR,6S,7R,7aS)-7-azido-6-[(R)-fluoro(methoxy)methyl]-2-phenyl-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxine
CID 21586139
(2R,4aR,6S,7R,7aS)-7-azido-6-[(S)-fluoro(methoxy)methyl]-2-phenyl-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxine
CID 21586140

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4S,5R,6R)-5-azido-4-fluoro-2-methoxy-6-methyl-3-phenylmethoxyoxane?
The IUPAC name of (2S,3S,4S,5R,6R)-5-azido-4-fluoro-2-methoxy-6-methyl-3-phenylmethoxyoxane (CID 134934457) is (2S,3S,4S,5R,6R)-5-azido-4-fluoro-2-methoxy-6-methyl-3-phenylmethoxyoxane.
What is the SMILES notation for (2S,3S,4S,5R,6R)-5-azido-4-fluoro-2-methoxy-6-methyl-3-phenylmethoxyoxane?
The canonical SMILES for (2S,3S,4S,5R,6R)-5-azido-4-fluoro-2-methoxy-6-methyl-3-phenylmethoxyoxane is CO[C@H]1O[C@H](C)[C@@H](N=[N+]=[N-])[C@H](F)[C@H]1OCc1ccccc1.
What is the InChIKey of (2S,3S,4S,5R,6R)-5-azido-4-fluoro-2-methoxy-6-methyl-3-phenylmethoxyoxane?
The InChIKey is MTXYHYXQUQAOSL-WJUUCBRBSA-N. The full InChI is InChI=1S/C14H18FN3O3/c1-9-12(17-18-16)11(15)13(14(19-2)21-9)20-8-10-6-4-3-5-7-10/h3-7,9,11-14H,8H2,1-2H3/t9-,11+,12-,13-,14+/m1/s1.
What are the key properties of (2S,3S,4S,5R,6R)-5-azido-4-fluoro-2-methoxy-6-methyl-3-phenylmethoxyoxane?
(2S,3S,4S,5R,6R)-5-azido-4-fluoro-2-methoxy-6-methyl-3-phenylmethoxyoxane has a molecular weight of 295.31 g/mol, XLogP of 2.98, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4S,5R,6R)-5-azido-4-fluoro-2-methoxy-6-methyl-3-phenylmethoxyoxane is sourced from PubChem (CID 134934457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).