(2R,3R,4R,5S,6R)-3-azido-4-phenylmethoxy-6-(phenylmethoxymethyl)oxane-2,5-diol

C20H23N3O5 — CID 90733829

IUPAC(2R,3R,4R,5S,6R)-3-azido-4-phenylmethoxy-6-(phenylmethoxymethyl)oxane-2,5-diol
SMILES[N-]=[N+]=N[C@@H]1[C@@H](OCc2ccccc2)[C@H](O)[C@@H](COCc2ccccc2)O[C@H]1O
InChIInChI=1S/C20H23N3O5/c21-23-22-17-19(27-12-15-9-5-2-6-10-15)18(24)16(28-20(17)25)13-26-11-14-7-3-1-4-8-14/h1-10,16-20,24-25H,11-13H2/t16-,17-,18-,19-,20-/m1/s1
InChIKeyRPDLFFMGJNDDDX-LASHMREHSA-N
MW385.42 g/mol
LogP2.55
Rot. Bonds8

About (2R,3R,4R,5S,6R)-3-azido-4-phenylmethoxy-6-(phenylmethoxymethyl)oxane-2,5-diol

(2R,3R,4R,5S,6R)-3-azido-4-phenylmethoxy-6-(phenylmethoxymethyl)oxane-2,5-diol (PubChem CID 90733829) has the molecular formula C20H23N3O5 and a molecular weight of 385.42 g/mol. Its IUPAC name is (2R,3R,4R,5S,6R)-3-azido-4-phenylmethoxy-6-(phenylmethoxymethyl)oxane-2,5-diol.

Molecular Properties

Compound Name(2R,3R,4R,5S,6R)-3-azido-4-phenylmethoxy-6-(phenylmethoxymethyl)oxane-2,5-diol
PubChem CID90733829
Molecular FormulaC20H23N3O5
Molecular Weight385.42 g/mol
Exact Mass385.16
IUPAC Name(2R,3R,4R,5S,6R)-3-azido-4-phenylmethoxy-6-(phenylmethoxymethyl)oxane-2,5-diol
SMILES[N-]=[N+]=N[C@@H]1[C@@H](OCc2ccccc2)[C@H](O)[C@@H](COCc2ccccc2)O[C@H]1O
InChIInChI=1S/C20H23N3O5/c21-23-22-17-19(27-12-15-9-5-2-6-10-15)18(24)16(28-20(17)25)13-26-11-14-7-3-1-4-8-14/h1-10,16-20,24-25H,11-13H2/t16-,17-,18-,19-,20-/m1/s1
InChIKeyRPDLFFMGJNDDDX-LASHMREHSA-N
XLogP2.55
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 ≤ 52.55
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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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5S,6R)-3-azido-4-phenylmethoxy-6-(phenylmethoxymethyl)oxane-2,5-diol?
The IUPAC name of (2R,3R,4R,5S,6R)-3-azido-4-phenylmethoxy-6-(phenylmethoxymethyl)oxane-2,5-diol (CID 90733829) is (2R,3R,4R,5S,6R)-3-azido-4-phenylmethoxy-6-(phenylmethoxymethyl)oxane-2,5-diol.
What is the SMILES notation for (2R,3R,4R,5S,6R)-3-azido-4-phenylmethoxy-6-(phenylmethoxymethyl)oxane-2,5-diol?
The canonical SMILES for (2R,3R,4R,5S,6R)-3-azido-4-phenylmethoxy-6-(phenylmethoxymethyl)oxane-2,5-diol is [N-]=[N+]=N[C@@H]1[C@@H](OCc2ccccc2)[C@H](O)[C@@H](COCc2ccccc2)O[C@H]1O.
What is the InChIKey of (2R,3R,4R,5S,6R)-3-azido-4-phenylmethoxy-6-(phenylmethoxymethyl)oxane-2,5-diol?
The InChIKey is RPDLFFMGJNDDDX-LASHMREHSA-N. The full InChI is InChI=1S/C20H23N3O5/c21-23-22-17-19(27-12-15-9-5-2-6-10-15)18(24)16(28-20(17)25)13-26-11-14-7-3-1-4-8-14/h1-10,16-20,24-25H,11-13H2/t16-,17-,18-,19-,20-/m1/s1.
What are the key properties of (2R,3R,4R,5S,6R)-3-azido-4-phenylmethoxy-6-(phenylmethoxymethyl)oxane-2,5-diol?
(2R,3R,4R,5S,6R)-3-azido-4-phenylmethoxy-6-(phenylmethoxymethyl)oxane-2,5-diol has a molecular weight of 385.42 g/mol, XLogP of 2.55, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5S,6R)-3-azido-4-phenylmethoxy-6-(phenylmethoxymethyl)oxane-2,5-diol is sourced from PubChem (CID 90733829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).