(2R,3R,4S,5S)-2-[(2R)-2-azido-1-hydroxy-3-phenylmethoxypropan-2-yl]-5-phenylmethoxyoxolane-3,4-diol

C21H25N3O6 — CID 71484289

IUPAC(2R,3R,4S,5S)-2-[(2R)-2-azido-1-hydroxy-3-phenylmethoxypropan-2-yl]-5-phenylmethoxyoxolane-3,4-diol
SMILES[N-]=[N+]=N[C@](CO)(COCc1ccccc1)[C@H]1O[C@H](OCc2ccccc2)[C@@H](O)[C@H]1O
InChIInChI=1S/C21H25N3O6/c22-24-23-21(13-25,14-28-11-15-7-3-1-4-8-15)19-17(26)18(27)20(30-19)29-12-16-9-5-2-6-10-16/h1-10,17-20,25-27H,11-14H2/t17-,18+,19+,20+,21-/m1/s1
InChIKeyMYULKWLZICTXFZ-NXNFSMPISA-N
MW415.45 g/mol
LogP1.91
Rot. Bonds10

About (2R,3R,4S,5S)-2-[(2R)-2-azido-1-hydroxy-3-phenylmethoxypropan-2-yl]-5-phenylmethoxyoxolane-3,4-diol

(2R,3R,4S,5S)-2-[(2R)-2-azido-1-hydroxy-3-phenylmethoxypropan-2-yl]-5-phenylmethoxyoxolane-3,4-diol (PubChem CID 71484289) has the molecular formula C21H25N3O6 and a molecular weight of 415.45 g/mol. Its IUPAC name is (2R,3R,4S,5S)-2-[(2R)-2-azido-1-hydroxy-3-phenylmethoxypropan-2-yl]-5-phenylmethoxyoxolane-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4S,5S)-2-[(2R)-2-azido-1-hydroxy-3-phenylmethoxypropan-2-yl]-5-phenylmethoxyoxolane-3,4-diol
PubChem CID71484289
Molecular FormulaC21H25N3O6
Molecular Weight415.45 g/mol
Exact Mass415.17
IUPAC Name(2R,3R,4S,5S)-2-[(2R)-2-azido-1-hydroxy-3-phenylmethoxypropan-2-yl]-5-phenylmethoxyoxolane-3,4-diol
SMILES[N-]=[N+]=N[C@](CO)(COCc1ccccc1)[C@H]1O[C@H](OCc2ccccc2)[C@@H](O)[C@H]1O
InChIInChI=1S/C21H25N3O6/c22-24-23-21(13-25,14-28-11-15-7-3-1-4-8-15)19-17(26)18(27)20(30-19)29-12-16-9-5-2-6-10-16/h1-10,17-20,25-27H,11-14H2/t17-,18+,19+,20+,21-/m1/s1
InChIKeyMYULKWLZICTXFZ-NXNFSMPISA-N
XLogP1.91
TPSA137.14 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.45
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5S)-2-[(2R)-2-azido-1-hydroxy-3-phenylmethoxypropan-2-yl]-5-phenylmethoxyoxolane-3,4-diol?
The IUPAC name of (2R,3R,4S,5S)-2-[(2R)-2-azido-1-hydroxy-3-phenylmethoxypropan-2-yl]-5-phenylmethoxyoxolane-3,4-diol (CID 71484289) is (2R,3R,4S,5S)-2-[(2R)-2-azido-1-hydroxy-3-phenylmethoxypropan-2-yl]-5-phenylmethoxyoxolane-3,4-diol.
What is the SMILES notation for (2R,3R,4S,5S)-2-[(2R)-2-azido-1-hydroxy-3-phenylmethoxypropan-2-yl]-5-phenylmethoxyoxolane-3,4-diol?
The canonical SMILES for (2R,3R,4S,5S)-2-[(2R)-2-azido-1-hydroxy-3-phenylmethoxypropan-2-yl]-5-phenylmethoxyoxolane-3,4-diol is [N-]=[N+]=N[C@](CO)(COCc1ccccc1)[C@H]1O[C@H](OCc2ccccc2)[C@@H](O)[C@H]1O.
What is the InChIKey of (2R,3R,4S,5S)-2-[(2R)-2-azido-1-hydroxy-3-phenylmethoxypropan-2-yl]-5-phenylmethoxyoxolane-3,4-diol?
The InChIKey is MYULKWLZICTXFZ-NXNFSMPISA-N. The full InChI is InChI=1S/C21H25N3O6/c22-24-23-21(13-25,14-28-11-15-7-3-1-4-8-15)19-17(26)18(27)20(30-19)29-12-16-9-5-2-6-10-16/h1-10,17-20,25-27H,11-14H2/t17-,18+,19+,20+,21-/m1/s1.
What are the key properties of (2R,3R,4S,5S)-2-[(2R)-2-azido-1-hydroxy-3-phenylmethoxypropan-2-yl]-5-phenylmethoxyoxolane-3,4-diol?
(2R,3R,4S,5S)-2-[(2R)-2-azido-1-hydroxy-3-phenylmethoxypropan-2-yl]-5-phenylmethoxyoxolane-3,4-diol has a molecular weight of 415.45 g/mol, XLogP of 1.91, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5S)-2-[(2R)-2-azido-1-hydroxy-3-phenylmethoxypropan-2-yl]-5-phenylmethoxyoxolane-3,4-diol is sourced from PubChem (CID 71484289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).