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

C14H19N3O3 — CID 101123036

IUPAC(2S,3R,5S,6R)-5-azido-2-methoxy-6-methyl-3-phenylmethoxyoxane
SMILESCO[C@H]1O[C@H](C)[C@@H](N=[N+]=[N-])C[C@H]1OCc1ccccc1
InChIInChI=1S/C14H19N3O3/c1-10-12(16-17-15)8-13(14(18-2)20-10)19-9-11-6-4-3-5-7-11/h3-7,10,12-14H,8-9H2,1-2H3/t10-,12+,13-,14+/m1/s1
InChIKeyOPGKGHUCTSZLKB-CABNGKKXSA-N
MW277.32 g/mol
LogP3.03
Rot. Bonds5

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

(2S,3R,5S,6R)-5-azido-2-methoxy-6-methyl-3-phenylmethoxyoxane (PubChem CID 101123036) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is (2S,3R,5S,6R)-5-azido-2-methoxy-6-methyl-3-phenylmethoxyoxane.

Molecular Properties

Compound Name(2S,3R,5S,6R)-5-azido-2-methoxy-6-methyl-3-phenylmethoxyoxane
PubChem CID101123036
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name(2S,3R,5S,6R)-5-azido-2-methoxy-6-methyl-3-phenylmethoxyoxane
SMILESCO[C@H]1O[C@H](C)[C@@H](N=[N+]=[N-])C[C@H]1OCc1ccccc1
InChIInChI=1S/C14H19N3O3/c1-10-12(16-17-15)8-13(14(18-2)20-10)19-9-11-6-4-3-5-7-11/h3-7,10,12-14H,8-9H2,1-2H3/t10-,12+,13-,14+/m1/s1
InChIKeyOPGKGHUCTSZLKB-CABNGKKXSA-N
XLogP3.03
TPSA76.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 53.03
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,3R,5S,6R)-5-azido-2-methoxy-6-methyl-3-phenylmethoxyoxane with MolForge

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Related Compounds

(2S,3R,5S,6R)-2-methoxy-6-methyl-3,5-bis(phenylmethoxy)oxane
CID 14133730
(2S,3S,5S,6R)-5-fluoro-2-methoxy-6-methyl-3-phenylmethoxyoxane
CID 15000119
(2R,3R,4R,5S,6S)-5-azido-2,3-dimethoxy-6-methyl-4-phenylmethoxyoxane
CID 101086007
(2S,3S,5R,6S)-2-(iodomethyl)-6-methoxy-3,5-bis(phenylmethoxy)oxane
CID 10917646
[(3R,4R)-3,4-diazidocyclopentyl]oxymethylbenzene
CID 58822158
(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
(2R,3S,4R,5R,6S)-5-azido-2-(hydroxymethyl)-6-methoxy-4-phenylmethoxyoxan-3-ol
CID 52918421
(4R,5S)-5-azido-2-ethyl-6-methoxy-4-phenylmethoxyoxan-3-ol
CID 70920316
(2S,3R,4S,5S,6S)-2-methoxy-3,6-dimethyl-4,5-bis(phenylmethoxy)oxane
CID 101084326
(2R,3R,4R,5S,6S)-2,4,5-trimethoxy-6-methyl-3-phenylmethoxyoxane
CID 11500331
(3R,4R,6S)-3-azido-6-fluoro-4-phenylmethoxyazepan-1-ium
CID 102198311
(3R,4R,6R)-3-azido-6-fluoro-4-phenylmethoxyazepan-1-ium
CID 102198313

Frequently Asked Questions

What is the IUPAC name of (2S,3R,5S,6R)-5-azido-2-methoxy-6-methyl-3-phenylmethoxyoxane?
The IUPAC name of (2S,3R,5S,6R)-5-azido-2-methoxy-6-methyl-3-phenylmethoxyoxane (CID 101123036) is (2S,3R,5S,6R)-5-azido-2-methoxy-6-methyl-3-phenylmethoxyoxane.
What is the SMILES notation for (2S,3R,5S,6R)-5-azido-2-methoxy-6-methyl-3-phenylmethoxyoxane?
The canonical SMILES for (2S,3R,5S,6R)-5-azido-2-methoxy-6-methyl-3-phenylmethoxyoxane is CO[C@H]1O[C@H](C)[C@@H](N=[N+]=[N-])C[C@H]1OCc1ccccc1.
What is the InChIKey of (2S,3R,5S,6R)-5-azido-2-methoxy-6-methyl-3-phenylmethoxyoxane?
The InChIKey is OPGKGHUCTSZLKB-CABNGKKXSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-10-12(16-17-15)8-13(14(18-2)20-10)19-9-11-6-4-3-5-7-11/h3-7,10,12-14H,8-9H2,1-2H3/t10-,12+,13-,14+/m1/s1.
What are the key properties of (2S,3R,5S,6R)-5-azido-2-methoxy-6-methyl-3-phenylmethoxyoxane?
(2S,3R,5S,6R)-5-azido-2-methoxy-6-methyl-3-phenylmethoxyoxane has a molecular weight of 277.32 g/mol, XLogP of 3.03, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,5S,6R)-5-azido-2-methoxy-6-methyl-3-phenylmethoxyoxane is sourced from PubChem (CID 101123036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).