(2S,3R,4R,5S)-2-azido-5-[(1S)-1,2-dihydroxyethyl]oxolane-3,4-diol

C6H11N3O5 — CID 130762384

IUPAC(2S,3R,4R,5S)-2-azido-5-[(1S)-1,2-dihydroxyethyl]oxolane-3,4-diol
SMILES[N-]=[N+]=N[C@H]1O[C@@H]([C@@H](O)CO)[C@H](O)[C@H]1O
InChIInChI=1S/C6H11N3O5/c7-9-8-6-4(13)3(12)5(14-6)2(11)1-10/h2-6,10-13H,1H2/t2-,3+,4+,5-,6-/m0/s1
InChIKeyNZYMIGLZTONBKI-KGJVWPDLSA-N
MW205.17 g/mol
LogP-1.90
Rot. Bonds3

About (2S,3R,4R,5S)-2-azido-5-[(1S)-1,2-dihydroxyethyl]oxolane-3,4-diol

(2S,3R,4R,5S)-2-azido-5-[(1S)-1,2-dihydroxyethyl]oxolane-3,4-diol (PubChem CID 130762384) has the molecular formula C6H11N3O5 and a molecular weight of 205.17 g/mol. Its IUPAC name is (2S,3R,4R,5S)-2-azido-5-[(1S)-1,2-dihydroxyethyl]oxolane-3,4-diol.

Molecular Properties

Compound Name(2S,3R,4R,5S)-2-azido-5-[(1S)-1,2-dihydroxyethyl]oxolane-3,4-diol
PubChem CID130762384
Molecular FormulaC6H11N3O5
Molecular Weight205.17 g/mol
Exact Mass205.07
IUPAC Name(2S,3R,4R,5S)-2-azido-5-[(1S)-1,2-dihydroxyethyl]oxolane-3,4-diol
SMILES[N-]=[N+]=N[C@H]1O[C@@H]([C@@H](O)CO)[C@H](O)[C@H]1O
InChIInChI=1S/C6H11N3O5/c7-9-8-6-4(13)3(12)5(14-6)2(11)1-10/h2-6,10-13H,1H2/t2-,3+,4+,5-,6-/m0/s1
InChIKeyNZYMIGLZTONBKI-KGJVWPDLSA-N
XLogP-1.90
TPSA138.91 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.17
LogP ≤ 5-1.90
H-Bond Donors ≤ 54
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'}

Analyze (2S,3R,4R,5S)-2-azido-5-[(1S)-1,2-dihydroxyethyl]oxolane-3,4-diol with MolForge

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Related Compounds

(2R,5S)-5-(1,2-dihydroxyethyl)oxolane-2,3,4-triol
CID 137349473
(2S,3S,4S,5S)-5-(1,2-dihydroxyethyl)oxolane-2,3,4-triol
CID 67949243
(2R,5R)-5-[(1S)-1,2-dihydroxyethyl]oxolane-2,3,4-triol
CID 129307306
(3R,4R,5R)-5-(1,2-dihydroxyethyl)oxolane-2,3,4-triol
CID 15560221
(3S,4S,5S)-5-[(1R)-1,2-dihydroxyethyl]oxolane-2,3,4-triol
CID 15560232
(2R,3R,4S,5R)-5-[(1S)-1,2-dihydroxyethyl]oxolane-2,3,4-triol
CID 53249955
(2R,4S,5S)-6-[(1R)-1,2-dihydroxyethyl]oxane-2,3,4,5-tetrol
CID 132935719
(4R,5S)-6-[(1R)-1,2-dihydroxyethyl]oxane-2,3,4,5-tetrol
CID 172641949
(2R,3S,4S,5S,6R)-6-(1,2-dihydroxyethyl)oxane-2,3,4,5-tetrol
CID 69188119
(2S,3S,4S,5S,6R)-6-[(1R)-1,2-dihydroxyethyl]oxane-2,3,4,5-tetrol
CID 21120523
(2R,3S,4S,5S,6S)-6-[(1R)-1,2-dihydroxyethyl]oxane-2,3,4,5-tetrol
CID 25323127
(2R,3R,4R,5R,6R)-2-azido-6-(hydroxymethyl)oxane-3,4,5-triol
CID 124746214

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4R,5S)-2-azido-5-[(1S)-1,2-dihydroxyethyl]oxolane-3,4-diol?
The IUPAC name of (2S,3R,4R,5S)-2-azido-5-[(1S)-1,2-dihydroxyethyl]oxolane-3,4-diol (CID 130762384) is (2S,3R,4R,5S)-2-azido-5-[(1S)-1,2-dihydroxyethyl]oxolane-3,4-diol.
What is the SMILES notation for (2S,3R,4R,5S)-2-azido-5-[(1S)-1,2-dihydroxyethyl]oxolane-3,4-diol?
The canonical SMILES for (2S,3R,4R,5S)-2-azido-5-[(1S)-1,2-dihydroxyethyl]oxolane-3,4-diol is [N-]=[N+]=N[C@H]1O[C@@H]([C@@H](O)CO)[C@H](O)[C@H]1O.
What is the InChIKey of (2S,3R,4R,5S)-2-azido-5-[(1S)-1,2-dihydroxyethyl]oxolane-3,4-diol?
The InChIKey is NZYMIGLZTONBKI-KGJVWPDLSA-N. The full InChI is InChI=1S/C6H11N3O5/c7-9-8-6-4(13)3(12)5(14-6)2(11)1-10/h2-6,10-13H,1H2/t2-,3+,4+,5-,6-/m0/s1.
What are the key properties of (2S,3R,4R,5S)-2-azido-5-[(1S)-1,2-dihydroxyethyl]oxolane-3,4-diol?
(2S,3R,4R,5S)-2-azido-5-[(1S)-1,2-dihydroxyethyl]oxolane-3,4-diol has a molecular weight of 205.17 g/mol, XLogP of -1.90, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4R,5S)-2-azido-5-[(1S)-1,2-dihydroxyethyl]oxolane-3,4-diol is sourced from PubChem (CID 130762384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).