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

C6H11N3O6 — CID 175255242

IUPAC(3R,4S,5R,6R)-3-azido-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
SMILES[N-]=[N+]=N[C@]1(O)C(O)O[C@H](CO)[C@H](O)[C@@H]1O
InChIInChI=1S/C6H11N3O6/c7-9-8-6(14)4(12)3(11)2(1-10)15-5(6)13/h2-5,10-14H,1H2/t2-,3+,4+,5?,6-/m1/s1
InChIKeyQDFNZCILYRAMIH-JMARFVTJSA-N
MW221.17 g/mol
LogP-2.58
Rot. Bonds2

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

(3R,4S,5R,6R)-3-azido-6-(hydroxymethyl)oxane-2,3,4,5-tetrol (PubChem CID 175255242) has the molecular formula C6H11N3O6 and a molecular weight of 221.17 g/mol. Its IUPAC name is (3R,4S,5R,6R)-3-azido-6-(hydroxymethyl)oxane-2,3,4,5-tetrol.

Molecular Properties

Compound Name(3R,4S,5R,6R)-3-azido-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
PubChem CID175255242
Molecular FormulaC6H11N3O6
Molecular Weight221.17 g/mol
Exact Mass221.06
IUPAC Name(3R,4S,5R,6R)-3-azido-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
SMILES[N-]=[N+]=N[C@]1(O)C(O)O[C@H](CO)[C@H](O)[C@@H]1O
InChIInChI=1S/C6H11N3O6/c7-9-8-6(14)4(12)3(11)2(1-10)15-5(6)13/h2-5,10-14H,1H2/t2-,3+,4+,5?,6-/m1/s1
InChIKeyQDFNZCILYRAMIH-JMARFVTJSA-N
XLogP-2.58
TPSA159.14 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.17
LogP ≤ 5-2.58
H-Bond Donors ≤ 55
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'}

Analyze (3R,4S,5R,6R)-3-azido-6-(hydroxymethyl)oxane-2,3,4,5-tetrol 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

(2S,3R,4R,5S,6R)-5-azido-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 90707173
6-(hydroxymethyl)oxane-2,3,3,4,5-pentol
CID 22286958
(2S,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,3,4,5-pentol
CID 101196422
(2R,3R,4S,5S,6R)-3-fluoro-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 118961526
3,3-difluoro-6-(hydroxymethyl)oxane-2,4,5-triol
CID 58092357
(2S,3S,4S,5R,6S)-2-(azidomethyl)-6-(hydroxymethyl)oxane-3,4,5-triol
CID 101008658
(3S,4R,5R,6S)-6-(hydroxymethyl)-3-(methylamino)oxane-2,3,4,5-tetrol
CID 176884296
(3R,4S,5S,6R)-3-(2-aminoethyl)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 91278110
(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-3-phenyloxane-2,3,4,5-tetrol
CID 57135995
(1S,4R,5R,6R)-4-(hydroxymethyl)-3,7-dioxabicyclo[4.1.0]heptane-1,2,5,6-tetrol
CID 91393562
(2S,3S,4S,5S)-3,5-bis(hydroxymethyl)oxolane-2,3,4-triol
CID 134824480
(3S,4S,5S)-3,5-bis(hydroxymethyl)oxolane-2,3,4-triol
CID 44603614

Frequently Asked Questions

What is the IUPAC name of (3R,4S,5R,6R)-3-azido-6-(hydroxymethyl)oxane-2,3,4,5-tetrol?
The IUPAC name of (3R,4S,5R,6R)-3-azido-6-(hydroxymethyl)oxane-2,3,4,5-tetrol (CID 175255242) is (3R,4S,5R,6R)-3-azido-6-(hydroxymethyl)oxane-2,3,4,5-tetrol.
What is the SMILES notation for (3R,4S,5R,6R)-3-azido-6-(hydroxymethyl)oxane-2,3,4,5-tetrol?
The canonical SMILES for (3R,4S,5R,6R)-3-azido-6-(hydroxymethyl)oxane-2,3,4,5-tetrol is [N-]=[N+]=N[C@]1(O)C(O)O[C@H](CO)[C@H](O)[C@@H]1O.
What is the InChIKey of (3R,4S,5R,6R)-3-azido-6-(hydroxymethyl)oxane-2,3,4,5-tetrol?
The InChIKey is QDFNZCILYRAMIH-JMARFVTJSA-N. The full InChI is InChI=1S/C6H11N3O6/c7-9-8-6(14)4(12)3(11)2(1-10)15-5(6)13/h2-5,10-14H,1H2/t2-,3+,4+,5?,6-/m1/s1.
What are the key properties of (3R,4S,5R,6R)-3-azido-6-(hydroxymethyl)oxane-2,3,4,5-tetrol?
(3R,4S,5R,6R)-3-azido-6-(hydroxymethyl)oxane-2,3,4,5-tetrol has a molecular weight of 221.17 g/mol, XLogP of -2.58, 2 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,5R,6R)-3-azido-6-(hydroxymethyl)oxane-2,3,4,5-tetrol is sourced from PubChem (CID 175255242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).