(2S,4R,5R)-5-(1-azidoethyl)-2-methyl-4-phenylmethoxyoxolan-3-ol

C14H19N3O3 — CID 54266414

IUPAC(2S,4R,5R)-5-(1-azidoethyl)-2-methyl-4-phenylmethoxyoxolan-3-ol
SMILESCC(N=[N+]=[N-])[C@H]1O[C@@H](C)C(O)[C@H]1OCc1ccccc1
InChIInChI=1S/C14H19N3O3/c1-9(16-17-15)13-14(12(18)10(2)20-13)19-8-11-6-4-3-5-7-11/h3-7,9-10,12-14,18H,8H2,1-2H3/t9?,10-,12?,13+,14+/m0/s1
InChIKeyRHBOZIVLOYWURS-JHTCYFJLSA-N
MW277.32 g/mol
LogP2.42
Rot. Bonds5

About (2S,4R,5R)-5-(1-azidoethyl)-2-methyl-4-phenylmethoxyoxolan-3-ol

(2S,4R,5R)-5-(1-azidoethyl)-2-methyl-4-phenylmethoxyoxolan-3-ol (PubChem CID 54266414) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is (2S,4R,5R)-5-(1-azidoethyl)-2-methyl-4-phenylmethoxyoxolan-3-ol.

Molecular Properties

Compound Name(2S,4R,5R)-5-(1-azidoethyl)-2-methyl-4-phenylmethoxyoxolan-3-ol
PubChem CID54266414
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name(2S,4R,5R)-5-(1-azidoethyl)-2-methyl-4-phenylmethoxyoxolan-3-ol
SMILESCC(N=[N+]=[N-])[C@H]1O[C@@H](C)C(O)[C@H]1OCc1ccccc1
InChIInChI=1S/C14H19N3O3/c1-9(16-17-15)13-14(12(18)10(2)20-13)19-8-11-6-4-3-5-7-11/h3-7,9-10,12-14,18H,8H2,1-2H3/t9?,10-,12?,13+,14+/m0/s1
InChIKeyRHBOZIVLOYWURS-JHTCYFJLSA-N
XLogP2.42
TPSA87.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.42
H-Bond Donors ≤ 51
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

(2S,3S,4R,5S,6S)-6-[(1S)-1-azidoethyl]-3,4,5-tris(phenylmethoxy)oxane-2-carboxylic acid
CID 16748968
(2S,3S,5S)-2,6-dimethyl-4-phenylmethoxyoxane-3,5-diol
CID 167585367
(3R,4R,5R)-5-[(1R)-1-azido-2-phenylmethoxyethyl]-2-methoxy-4-phenylmethoxyoxolan-3-ol
CID 54148299
2-(azidomethyl)-6-methyl-4,5-bis(phenylmethoxy)oxan-3-ol
CID 3702907
(2S,3R,4R,5R)-5-[(1R)-2-azido-1-methoxyethyl]-2-ethoxy-4-phenylmethoxyoxolan-3-ol
CID 22816407
(2R,3R,4S,5R)-2-(hydroxymethyl)-5-methyl-4-phenylmethoxyoxolan-3-ol
CID 58747870
(2S,3S,5R,6R)-4-phenylmethoxyoxane-2,3,5,6-tetrol
CID 131023997
[(2R,3R,4R,5S)-6-[(S)-azido(phenyl)methyl]-3,4,5-tris(phenylmethoxy)oxan-2-yl]methanol
CID 140895427
(2R,3S,4S,5R,6R)-2-methyl-3,5,6-tris(phenylmethoxy)oxan-4-ol
CID 11080578
(3R,4R,5R,6R)-2-azido-6-(hydroxymethyl)-4,5-bis(phenylmethoxy)oxan-3-ol
CID 122206664
(2R,3S,4R,6S)-2-methyl-3,6-bis(phenylmethoxy)oxan-4-ol
CID 14466621
(2R,3R,4S,5R,6R)-2-methyl-6-phenylmethoxyoxane-3,4,5-triol
CID 102303729

Frequently Asked Questions

What is the IUPAC name of (2S,4R,5R)-5-(1-azidoethyl)-2-methyl-4-phenylmethoxyoxolan-3-ol?
The IUPAC name of (2S,4R,5R)-5-(1-azidoethyl)-2-methyl-4-phenylmethoxyoxolan-3-ol (CID 54266414) is (2S,4R,5R)-5-(1-azidoethyl)-2-methyl-4-phenylmethoxyoxolan-3-ol.
What is the SMILES notation for (2S,4R,5R)-5-(1-azidoethyl)-2-methyl-4-phenylmethoxyoxolan-3-ol?
The canonical SMILES for (2S,4R,5R)-5-(1-azidoethyl)-2-methyl-4-phenylmethoxyoxolan-3-ol is CC(N=[N+]=[N-])[C@H]1O[C@@H](C)C(O)[C@H]1OCc1ccccc1.
What is the InChIKey of (2S,4R,5R)-5-(1-azidoethyl)-2-methyl-4-phenylmethoxyoxolan-3-ol?
The InChIKey is RHBOZIVLOYWURS-JHTCYFJLSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-9(16-17-15)13-14(12(18)10(2)20-13)19-8-11-6-4-3-5-7-11/h3-7,9-10,12-14,18H,8H2,1-2H3/t9?,10-,12?,13+,14+/m0/s1.
What are the key properties of (2S,4R,5R)-5-(1-azidoethyl)-2-methyl-4-phenylmethoxyoxolan-3-ol?
(2S,4R,5R)-5-(1-azidoethyl)-2-methyl-4-phenylmethoxyoxolan-3-ol has a molecular weight of 277.32 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R,5R)-5-(1-azidoethyl)-2-methyl-4-phenylmethoxyoxolan-3-ol is sourced from PubChem (CID 54266414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).