(2S,3R,4R,5S,6S)-4-azido-6-(azidomethyl)oxane-2,3,5-triol

C6H10N6O4 — CID 124636003

IUPAC(2S,3R,4R,5S,6S)-4-azido-6-(azidomethyl)oxane-2,3,5-triol
SMILES[N-]=[N+]=NC[C@@H]1O[C@H](O)[C@H](O)[C@H](N=[N+]=[N-])[C@@H]1O
InChIInChI=1S/C6H10N6O4/c7-11-9-1-2-4(13)3(10-12-8)5(14)6(15)16-2/h2-6,13-15H,1H2/t2-,3+,4+,5+,6-/m0/s1
InChIKeyIWIPLQNGULKODP-BSQWINAVSA-N
MW230.18 g/mol
LogP-0.59
Rot. Bonds3

About (2S,3R,4R,5S,6S)-4-azido-6-(azidomethyl)oxane-2,3,5-triol

(2S,3R,4R,5S,6S)-4-azido-6-(azidomethyl)oxane-2,3,5-triol (PubChem CID 124636003) has the molecular formula C6H10N6O4 and a molecular weight of 230.18 g/mol. Its IUPAC name is (2S,3R,4R,5S,6S)-4-azido-6-(azidomethyl)oxane-2,3,5-triol.

Molecular Properties

Compound Name(2S,3R,4R,5S,6S)-4-azido-6-(azidomethyl)oxane-2,3,5-triol
PubChem CID124636003
Molecular FormulaC6H10N6O4
Molecular Weight230.18 g/mol
Exact Mass230.08
IUPAC Name(2S,3R,4R,5S,6S)-4-azido-6-(azidomethyl)oxane-2,3,5-triol
SMILES[N-]=[N+]=NC[C@@H]1O[C@H](O)[C@H](O)[C@H](N=[N+]=[N-])[C@@H]1O
InChIInChI=1S/C6H10N6O4/c7-11-9-1-2-4(13)3(10-12-8)5(14)6(15)16-2/h2-6,13-15H,1H2/t2-,3+,4+,5+,6-/m0/s1
InChIKeyIWIPLQNGULKODP-BSQWINAVSA-N
XLogP-0.59
TPSA167.44 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.18
LogP ≤ 5-0.59
H-Bond Donors ≤ 53
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,6S)-4-azido-6-(azidomethyl)oxane-2,3,5-triol 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
actinium;(3R,4S,5S,6R)-6-(azidomethyl)oxane-2,3,4,5-tetrol
CID 59078250
(2R,4R)-5-(azidomethyl)oxolane-2,3,4-triol
CID 153454209
(2S,4S,5R)-6-(azidomethyl)oxane-2,3,4,5-tetrol
CID 71165152
(3S,5S)-6-(azidomethyl)oxane-2,3,4,5-tetrol
CID 130471812
(3S,4R,5S,6R)-3,4-diazido-6-(hydroxymethyl)oxane-2,5-diol
CID 10466374
(1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31S,33R,35R,36S,37S,38S,39S,40S,41S,42S,43S,44S,45S,46S,47S,48S,49S)-36,38,40,42,44,46,48-heptaazido-5,10,15,20,25,30,35-heptakis(azidomethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane-37,39,41,43,45,47,49-heptol
CID 11159237
(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
actinium;(6R)-4-azido-2-bromo-6-(hydroxymethyl)oxane-3,5-diol;(2R)-2-(azidomethyl)-6-bromooxane-3,4,5-triol;2-bromo-6-methyloxane-3,4,5-triol
CID 160707784
(2S,3S,4S,5R,6S)-2-(azidomethyl)-6-(hydroxymethyl)oxane-3,4,5-triol
CID 101008658

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4R,5S,6S)-4-azido-6-(azidomethyl)oxane-2,3,5-triol?
The IUPAC name of (2S,3R,4R,5S,6S)-4-azido-6-(azidomethyl)oxane-2,3,5-triol (CID 124636003) is (2S,3R,4R,5S,6S)-4-azido-6-(azidomethyl)oxane-2,3,5-triol.
What is the SMILES notation for (2S,3R,4R,5S,6S)-4-azido-6-(azidomethyl)oxane-2,3,5-triol?
The canonical SMILES for (2S,3R,4R,5S,6S)-4-azido-6-(azidomethyl)oxane-2,3,5-triol is [N-]=[N+]=NC[C@@H]1O[C@H](O)[C@H](O)[C@H](N=[N+]=[N-])[C@@H]1O.
What is the InChIKey of (2S,3R,4R,5S,6S)-4-azido-6-(azidomethyl)oxane-2,3,5-triol?
The InChIKey is IWIPLQNGULKODP-BSQWINAVSA-N. The full InChI is InChI=1S/C6H10N6O4/c7-11-9-1-2-4(13)3(10-12-8)5(14)6(15)16-2/h2-6,13-15H,1H2/t2-,3+,4+,5+,6-/m0/s1.
What are the key properties of (2S,3R,4R,5S,6S)-4-azido-6-(azidomethyl)oxane-2,3,5-triol?
(2S,3R,4R,5S,6S)-4-azido-6-(azidomethyl)oxane-2,3,5-triol has a molecular weight of 230.18 g/mol, XLogP of -0.59, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4R,5S,6S)-4-azido-6-(azidomethyl)oxane-2,3,5-triol is sourced from PubChem (CID 124636003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).