(2R,4S,5R)-4-[(1R,2R)-2-azido-1-hydroxy-3-phenylmethoxypropyl]-2-phenyl-1,3-dioxan-5-ol

C20H23N3O5 — CID 11494738

IUPAC(2R,4S,5R)-4-[(1R,2R)-2-azido-1-hydroxy-3-phenylmethoxypropyl]-2-phenyl-1,3-dioxan-5-ol
SMILES[N-]=[N+]=N[C@H](COCc1ccccc1)[C@@H](O)[C@@H]1O[C@H](c2ccccc2)OC[C@H]1O
InChIInChI=1S/C20H23N3O5/c21-23-22-16(12-26-11-14-7-3-1-4-8-14)18(25)19-17(24)13-27-20(28-19)15-9-5-2-6-10-15/h1-10,16-20,24-25H,11-13H2/t16-,17-,18-,19-,20-/m1/s1
InChIKeyZILDZMAIXSQNLR-LASHMREHSA-N
MW385.42 g/mol
LogP2.72
Rot. Bonds8

About (2R,4S,5R)-4-[(1R,2R)-2-azido-1-hydroxy-3-phenylmethoxypropyl]-2-phenyl-1,3-dioxan-5-ol

(2R,4S,5R)-4-[(1R,2R)-2-azido-1-hydroxy-3-phenylmethoxypropyl]-2-phenyl-1,3-dioxan-5-ol (PubChem CID 11494738) has the molecular formula C20H23N3O5 and a molecular weight of 385.42 g/mol. Its IUPAC name is (2R,4S,5R)-4-[(1R,2R)-2-azido-1-hydroxy-3-phenylmethoxypropyl]-2-phenyl-1,3-dioxan-5-ol.

Molecular Properties

Compound Name(2R,4S,5R)-4-[(1R,2R)-2-azido-1-hydroxy-3-phenylmethoxypropyl]-2-phenyl-1,3-dioxan-5-ol
PubChem CID11494738
Molecular FormulaC20H23N3O5
Molecular Weight385.42 g/mol
Exact Mass385.16
IUPAC Name(2R,4S,5R)-4-[(1R,2R)-2-azido-1-hydroxy-3-phenylmethoxypropyl]-2-phenyl-1,3-dioxan-5-ol
SMILES[N-]=[N+]=N[C@H](COCc1ccccc1)[C@@H](O)[C@@H]1O[C@H](c2ccccc2)OC[C@H]1O
InChIInChI=1S/C20H23N3O5/c21-23-22-16(12-26-11-14-7-3-1-4-8-14)18(25)19-17(24)13-27-20(28-19)15-9-5-2-6-10-15/h1-10,16-20,24-25H,11-13H2/t16-,17-,18-,19-,20-/m1/s1
InChIKeyZILDZMAIXSQNLR-LASHMREHSA-N
XLogP2.72
TPSA116.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

(4R,5R)-4-[(1S)-1-azido-2-hydroxyethyl]-2-phenyl-1,3-dioxan-5-ol
CID 90061342
(1R)-1-[(2S,4R,5R)-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]ethane-1,2-diol
CID 11075553
(2R,4R)-4-[(1R,2S,3E)-3-methoxyimino-1,2-bis(phenylmethoxy)propyl]-2-phenyl-1,3-dioxan-5-ol
CID 10600695
(3R,4R,5R)-5-[(1S)-1-azido-2-phenylmethoxyethyl]-3-hydroxy-4-phenylmethoxyoxolan-2-one
CID 71485794
(3S,4R,5S)-5-[(1S)-1-azido-2-phenylmethoxyethyl]-3-hydroxy-4-phenylmethoxyoxolan-2-one
CID 71486201
4-methyl-2-phenyl-1,3-dioxolane;phenylmethoxymethylbenzene
CID 175322944
(2R,3S)-3-azido-1-[tert-butyl(dimethyl)silyl]oxy-4-phenylmethoxybutan-2-ol
CID 10247403
(3S,5R)-4-azido-5-(1-hydroxy-2-phenylmethoxyethyl)oxolane-2,3-diol
CID 58971944
(3R,4R,5R)-5-[(1R)-1-azido-2-phenylmethoxyethyl]-2-methoxy-4-phenylmethoxyoxolan-3-ol
CID 54148299
(2S,3S,4R)-4-azido-2,3,5-tris(phenylmethoxy)pentanal
CID 102408830
[(2R,3R)-2-azido-1-phenylmethoxyhexan-3-yl] acetate
CID 10108329
(2S)-2-azido-3-phenylmethoxypropan-1-ol
CID 10632133

Frequently Asked Questions

What is the IUPAC name of (2R,4S,5R)-4-[(1R,2R)-2-azido-1-hydroxy-3-phenylmethoxypropyl]-2-phenyl-1,3-dioxan-5-ol?
The IUPAC name of (2R,4S,5R)-4-[(1R,2R)-2-azido-1-hydroxy-3-phenylmethoxypropyl]-2-phenyl-1,3-dioxan-5-ol (CID 11494738) is (2R,4S,5R)-4-[(1R,2R)-2-azido-1-hydroxy-3-phenylmethoxypropyl]-2-phenyl-1,3-dioxan-5-ol.
What is the SMILES notation for (2R,4S,5R)-4-[(1R,2R)-2-azido-1-hydroxy-3-phenylmethoxypropyl]-2-phenyl-1,3-dioxan-5-ol?
The canonical SMILES for (2R,4S,5R)-4-[(1R,2R)-2-azido-1-hydroxy-3-phenylmethoxypropyl]-2-phenyl-1,3-dioxan-5-ol is [N-]=[N+]=N[C@H](COCc1ccccc1)[C@@H](O)[C@@H]1O[C@H](c2ccccc2)OC[C@H]1O.
What is the InChIKey of (2R,4S,5R)-4-[(1R,2R)-2-azido-1-hydroxy-3-phenylmethoxypropyl]-2-phenyl-1,3-dioxan-5-ol?
The InChIKey is ZILDZMAIXSQNLR-LASHMREHSA-N. The full InChI is InChI=1S/C20H23N3O5/c21-23-22-16(12-26-11-14-7-3-1-4-8-14)18(25)19-17(24)13-27-20(28-19)15-9-5-2-6-10-15/h1-10,16-20,24-25H,11-13H2/t16-,17-,18-,19-,20-/m1/s1.
What are the key properties of (2R,4S,5R)-4-[(1R,2R)-2-azido-1-hydroxy-3-phenylmethoxypropyl]-2-phenyl-1,3-dioxan-5-ol?
(2R,4S,5R)-4-[(1R,2R)-2-azido-1-hydroxy-3-phenylmethoxypropyl]-2-phenyl-1,3-dioxan-5-ol has a molecular weight of 385.42 g/mol, XLogP of 2.72, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S,5R)-4-[(1R,2R)-2-azido-1-hydroxy-3-phenylmethoxypropyl]-2-phenyl-1,3-dioxan-5-ol is sourced from PubChem (CID 11494738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).