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

C6H10N6O4 — CID 10466374

IUPAC(3S,4R,5S,6R)-3,4-diazido-6-(hydroxymethyl)oxane-2,5-diol
SMILES[N-]=[N+]=N[C@H]1[C@H](O)[C@@H](CO)OC(O)[C@H]1N=[N+]=[N-]
InChIInChI=1S/C6H10N6O4/c7-11-9-3-4(10-12-8)6(15)16-2(1-13)5(3)14/h2-6,13-15H,1H2/t2-,3-,4+,5-,6?/m1/s1
InChIKeyOQSJPSLAJZDCDJ-GASJEMHNSA-N
MW230.18 g/mol
LogP-0.59
Rot. Bonds3

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

(3S,4R,5S,6R)-3,4-diazido-6-(hydroxymethyl)oxane-2,5-diol (PubChem CID 10466374) has the molecular formula C6H10N6O4 and a molecular weight of 230.18 g/mol. Its IUPAC name is (3S,4R,5S,6R)-3,4-diazido-6-(hydroxymethyl)oxane-2,5-diol.

Molecular Properties

Compound Name(3S,4R,5S,6R)-3,4-diazido-6-(hydroxymethyl)oxane-2,5-diol
PubChem CID10466374
Molecular FormulaC6H10N6O4
Molecular Weight230.18 g/mol
Exact Mass230.08
IUPAC Name(3S,4R,5S,6R)-3,4-diazido-6-(hydroxymethyl)oxane-2,5-diol
SMILES[N-]=[N+]=N[C@H]1[C@H](O)[C@@H](CO)OC(O)[C@H]1N=[N+]=[N-]
InChIInChI=1S/C6H10N6O4/c7-11-9-3-4(10-12-8)6(15)16-2(1-13)5(3)14/h2-6,13-15H,1H2/t2-,3-,4+,5-,6?/m1/s1
InChIKeyOQSJPSLAJZDCDJ-GASJEMHNSA-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'}

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Related Compounds

4-azido-6-(hydroxymethyl)oxane-2,3,5-triol
CID 12775534
(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,5S)-4-azido-2-(hydroxymethyl)-5-methyloxolan-3-ol
CID 90445154
(2S,4S,5R)-4-azido-2-chloro-6-(hydroxymethyl)oxane-3,5-diol
CID 140821044
(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
(2S,3R,4R,5S,6S)-4-azido-6-(azidomethyl)oxane-2,3,5-triol
CID 124636003
(2R,3S,4R)-4-azido-2-(hydroxymethyl)-5-methoxyoxolan-3-ol
CID 130936452
(3S,6S)-4-azido-2-(hydroxymethyl)-6-propan-2-yloxane-3,5-diol
CID 70914870
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,3R,5R,6R)-2-azido-6-(hydroxymethyl)oxane-3,4,5-triol
CID 140539179

Frequently Asked Questions

What is the IUPAC name of (3S,4R,5S,6R)-3,4-diazido-6-(hydroxymethyl)oxane-2,5-diol?
The IUPAC name of (3S,4R,5S,6R)-3,4-diazido-6-(hydroxymethyl)oxane-2,5-diol (CID 10466374) is (3S,4R,5S,6R)-3,4-diazido-6-(hydroxymethyl)oxane-2,5-diol.
What is the SMILES notation for (3S,4R,5S,6R)-3,4-diazido-6-(hydroxymethyl)oxane-2,5-diol?
The canonical SMILES for (3S,4R,5S,6R)-3,4-diazido-6-(hydroxymethyl)oxane-2,5-diol is [N-]=[N+]=N[C@H]1[C@H](O)[C@@H](CO)OC(O)[C@H]1N=[N+]=[N-].
What is the InChIKey of (3S,4R,5S,6R)-3,4-diazido-6-(hydroxymethyl)oxane-2,5-diol?
The InChIKey is OQSJPSLAJZDCDJ-GASJEMHNSA-N. The full InChI is InChI=1S/C6H10N6O4/c7-11-9-3-4(10-12-8)6(15)16-2(1-13)5(3)14/h2-6,13-15H,1H2/t2-,3-,4+,5-,6?/m1/s1.
What are the key properties of (3S,4R,5S,6R)-3,4-diazido-6-(hydroxymethyl)oxane-2,5-diol?
(3S,4R,5S,6R)-3,4-diazido-6-(hydroxymethyl)oxane-2,5-diol 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 (3S,4R,5S,6R)-3,4-diazido-6-(hydroxymethyl)oxane-2,5-diol is sourced from PubChem (CID 10466374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).