(4R,5S)-5-azido-2-ethyl-6-methoxy-4-phenylmethoxyoxan-3-ol

C15H21N3O4 — CID 70920316

IUPAC(4R,5S)-5-azido-2-ethyl-6-methoxy-4-phenylmethoxyoxan-3-ol
SMILESCCC1OC(OC)[C@@H](N=[N+]=[N-])[C@@H](OCc2ccccc2)C1O
InChIInChI=1S/C15H21N3O4/c1-3-11-13(19)14(12(17-18-16)15(20-2)22-11)21-9-10-7-5-4-6-8-10/h4-8,11-15,19H,3,9H2,1-2H3/t11?,12-,13?,14+,15?/m0/s1
InChIKeyABJUABRUEJRVAT-VNECMYLUSA-N
MW307.35 g/mol
LogP2.39
Rot. Bonds6

About (4R,5S)-5-azido-2-ethyl-6-methoxy-4-phenylmethoxyoxan-3-ol

(4R,5S)-5-azido-2-ethyl-6-methoxy-4-phenylmethoxyoxan-3-ol (PubChem CID 70920316) has the molecular formula C15H21N3O4 and a molecular weight of 307.35 g/mol. Its IUPAC name is (4R,5S)-5-azido-2-ethyl-6-methoxy-4-phenylmethoxyoxan-3-ol.

Molecular Properties

Compound Name(4R,5S)-5-azido-2-ethyl-6-methoxy-4-phenylmethoxyoxan-3-ol
PubChem CID70920316
Molecular FormulaC15H21N3O4
Molecular Weight307.35 g/mol
Exact Mass307.15
IUPAC Name(4R,5S)-5-azido-2-ethyl-6-methoxy-4-phenylmethoxyoxan-3-ol
SMILESCCC1OC(OC)[C@@H](N=[N+]=[N-])[C@@H](OCc2ccccc2)C1O
InChIInChI=1S/C15H21N3O4/c1-3-11-13(19)14(12(17-18-16)15(20-2)22-11)21-9-10-7-5-4-6-8-10/h4-8,11-15,19H,3,9H2,1-2H3/t11?,12-,13?,14+,15?/m0/s1
InChIKeyABJUABRUEJRVAT-VNECMYLUSA-N
XLogP2.39
TPSA96.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 52.39
H-Bond Donors ≤ 51
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 (4R,5S)-5-azido-2-ethyl-6-methoxy-4-phenylmethoxyoxan-3-ol 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

(2R,3S,4R,5R,6S)-5-azido-2-(hydroxymethyl)-6-methoxy-4-phenylmethoxyoxan-3-ol
CID 52918421
(3R,4R,6R)-5-azido-6-methoxy-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-ol
CID 59621111
(2R,3S,4R,5R,6S)-5-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-4-phenylmethoxyoxan-3-ol
CID 52918394
(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
methyl (3S,4S,6R)-3-[(2R,4R,5R)-3-azido-6-ethyl-5-hydroxy-4-phenylmethoxyoxan-2-yl]oxy-4,5-dibenzoyloxy-6-phenylmethoxyoxane-2-carboxylate
CID 90949111
(2R,3R,4R,5R,6S)-5-azido-6-[tert-butyl(diphenyl)silyl]oxy-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-ol
CID 102322669
[(2R,3S,4R,5R,6S)-5-azido-6-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-4-phenylmethoxyoxan-2-yl]methyl acetate
CID 86587178
(2R,3R,4R,5R,6R)-4-azido-5,6-dimethoxy-2-(phenylmethoxymethyl)oxan-3-ol
CID 10448864
(2R,3S,4S,5R)-2-(hydroxymethyl)-6-methoxy-4,5-bis(phenylmethoxy)oxan-3-ol
CID 102185522
(2R,3S,4R,5R,6R)-2-(hydroxymethyl)-6-methoxy-4-phenylmethoxyoxane-3,5-diol
CID 10379133
(2R,3R,4R,5S,6S)-5-azido-2,3-dimethoxy-6-methyl-4-phenylmethoxyoxane
CID 101086007
(2R,3R,4R,5S,6R)-3-azido-2-[(2R,3R,4S,5R,6S)-6-methoxy-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 101090919

Frequently Asked Questions

What is the IUPAC name of (4R,5S)-5-azido-2-ethyl-6-methoxy-4-phenylmethoxyoxan-3-ol?
The IUPAC name of (4R,5S)-5-azido-2-ethyl-6-methoxy-4-phenylmethoxyoxan-3-ol (CID 70920316) is (4R,5S)-5-azido-2-ethyl-6-methoxy-4-phenylmethoxyoxan-3-ol.
What is the SMILES notation for (4R,5S)-5-azido-2-ethyl-6-methoxy-4-phenylmethoxyoxan-3-ol?
The canonical SMILES for (4R,5S)-5-azido-2-ethyl-6-methoxy-4-phenylmethoxyoxan-3-ol is CCC1OC(OC)[C@@H](N=[N+]=[N-])[C@@H](OCc2ccccc2)C1O.
What is the InChIKey of (4R,5S)-5-azido-2-ethyl-6-methoxy-4-phenylmethoxyoxan-3-ol?
The InChIKey is ABJUABRUEJRVAT-VNECMYLUSA-N. The full InChI is InChI=1S/C15H21N3O4/c1-3-11-13(19)14(12(17-18-16)15(20-2)22-11)21-9-10-7-5-4-6-8-10/h4-8,11-15,19H,3,9H2,1-2H3/t11?,12-,13?,14+,15?/m0/s1.
What are the key properties of (4R,5S)-5-azido-2-ethyl-6-methoxy-4-phenylmethoxyoxan-3-ol?
(4R,5S)-5-azido-2-ethyl-6-methoxy-4-phenylmethoxyoxan-3-ol has a molecular weight of 307.35 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-5-azido-2-ethyl-6-methoxy-4-phenylmethoxyoxan-3-ol is sourced from PubChem (CID 70920316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).