(2S,4S,5R)-4-azido-2-chloro-6-(hydroxymethyl)oxane-3,5-diol

C6H10ClN3O4 — CID 140821044

IUPAC(2S,4S,5R)-4-azido-2-chloro-6-(hydroxymethyl)oxane-3,5-diol
SMILES[N-]=[N+]=N[C@@H]1C(O)[C@H](Cl)OC(CO)[C@@H]1O
InChIInChI=1S/C6H10ClN3O4/c7-6-5(13)3(9-10-8)4(12)2(1-11)14-6/h2-6,11-13H,1H2/t2?,3-,4-,5?,6+/m0/s1
InChIKeyAKDWLPSJLOMBEJ-DLGJCNIVSA-N
MW223.62 g/mol
LogP-0.66
Rot. Bonds2

About (2S,4S,5R)-4-azido-2-chloro-6-(hydroxymethyl)oxane-3,5-diol

(2S,4S,5R)-4-azido-2-chloro-6-(hydroxymethyl)oxane-3,5-diol (PubChem CID 140821044) has the molecular formula C6H10ClN3O4 and a molecular weight of 223.62 g/mol. Its IUPAC name is (2S,4S,5R)-4-azido-2-chloro-6-(hydroxymethyl)oxane-3,5-diol.

Molecular Properties

Compound Name(2S,4S,5R)-4-azido-2-chloro-6-(hydroxymethyl)oxane-3,5-diol
PubChem CID140821044
Molecular FormulaC6H10ClN3O4
Molecular Weight223.62 g/mol
Exact Mass223.04
IUPAC Name(2S,4S,5R)-4-azido-2-chloro-6-(hydroxymethyl)oxane-3,5-diol
SMILES[N-]=[N+]=N[C@@H]1C(O)[C@H](Cl)OC(CO)[C@@H]1O
InChIInChI=1S/C6H10ClN3O4/c7-6-5(13)3(9-10-8)4(12)2(1-11)14-6/h2-6,11-13H,1H2/t2?,3-,4-,5?,6+/m0/s1
InChIKeyAKDWLPSJLOMBEJ-DLGJCNIVSA-N
XLogP-0.66
TPSA118.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.62
LogP ≤ 5-0.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', '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 (2S,4S,5R)-4-azido-2-chloro-6-(hydroxymethyl)oxane-3,5-diol 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

4-azido-6-(hydroxymethyl)oxane-2,3,5-triol
CID 12775534
(3S,4R,5S,6R)-3,4-diazido-6-(hydroxymethyl)oxane-2,5-diol
CID 10466374
(2S,4R)-4-azido-2-[(3R,5R)-4-azido-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl-6-(hydroxymethyl)oxane-3,5-diol
CID 118679943
(2R,3S,4R,5S)-4-azido-2-(hydroxymethyl)-5-methyloxolan-3-ol
CID 90445154
(3S,6S)-4-azido-2-(hydroxymethyl)-6-propan-2-yloxane-3,5-diol
CID 70914870
(2R,5S)-3-azido-6-(hydroxymethyl)oxane-2,4,5-triol
CID 135080637
(4S,5R)-3-azido-6-(hydroxymethyl)oxane-2,4,5-triol
CID 172641707
(2R,3S,5R)-3-azido-6-(hydroxymethyl)oxane-2,4,5-triol
CID 130197819
(2R,3S,4R,5R)-2-chloro-5-(hydroxymethyl)oxolane-3,4-diol
CID 56990927
(2R,3R,4R,5R)-2-chloro-5-(hydroxymethyl)oxolane-3,4-diol
CID 70382401
2-[(2R,3R,4R,5S,6R)-4-azido-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 170170074
(2R,3S,4R)-4-azido-2-(hydroxymethyl)-5-methoxyoxolan-3-ol
CID 130936452

Frequently Asked Questions

What is the IUPAC name of (2S,4S,5R)-4-azido-2-chloro-6-(hydroxymethyl)oxane-3,5-diol?
The IUPAC name of (2S,4S,5R)-4-azido-2-chloro-6-(hydroxymethyl)oxane-3,5-diol (CID 140821044) is (2S,4S,5R)-4-azido-2-chloro-6-(hydroxymethyl)oxane-3,5-diol.
What is the SMILES notation for (2S,4S,5R)-4-azido-2-chloro-6-(hydroxymethyl)oxane-3,5-diol?
The canonical SMILES for (2S,4S,5R)-4-azido-2-chloro-6-(hydroxymethyl)oxane-3,5-diol is [N-]=[N+]=N[C@@H]1C(O)[C@H](Cl)OC(CO)[C@@H]1O.
What is the InChIKey of (2S,4S,5R)-4-azido-2-chloro-6-(hydroxymethyl)oxane-3,5-diol?
The InChIKey is AKDWLPSJLOMBEJ-DLGJCNIVSA-N. The full InChI is InChI=1S/C6H10ClN3O4/c7-6-5(13)3(9-10-8)4(12)2(1-11)14-6/h2-6,11-13H,1H2/t2?,3-,4-,5?,6+/m0/s1.
What are the key properties of (2S,4S,5R)-4-azido-2-chloro-6-(hydroxymethyl)oxane-3,5-diol?
(2S,4S,5R)-4-azido-2-chloro-6-(hydroxymethyl)oxane-3,5-diol has a molecular weight of 223.62 g/mol, XLogP of -0.66, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S,5R)-4-azido-2-chloro-6-(hydroxymethyl)oxane-3,5-diol is sourced from PubChem (CID 140821044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).