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

C9H16N4O4 — CID 131844505

IUPAC(2R,3S,4R,5R,6R)-6-azido-2-(hydroxymethyl)-5-(propan-2-ylideneamino)oxane-3,4-diol
SMILESCC(C)=N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1N=[N+]=[N-]
InChIInChI=1S/C9H16N4O4/c1-4(2)11-6-8(16)7(15)5(3-14)17-9(6)12-13-10/h5-9,14-16H,3H2,1-2H3/t5-,6-,7-,8-,9-/m1/s1
InChIKeyQTUQUWMYGJHZEG-JGKVKWKGSA-N
MW244.25 g/mol
LogP-0.41
Rot. Bonds3

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

(2R,3S,4R,5R,6R)-6-azido-2-(hydroxymethyl)-5-(propan-2-ylideneamino)oxane-3,4-diol (PubChem CID 131844505) has the molecular formula C9H16N4O4 and a molecular weight of 244.25 g/mol. Its IUPAC name is (2R,3S,4R,5R,6R)-6-azido-2-(hydroxymethyl)-5-(propan-2-ylideneamino)oxane-3,4-diol.

Molecular Properties

Compound Name(2R,3S,4R,5R,6R)-6-azido-2-(hydroxymethyl)-5-(propan-2-ylideneamino)oxane-3,4-diol
PubChem CID131844505
Molecular FormulaC9H16N4O4
Molecular Weight244.25 g/mol
Exact Mass244.12
IUPAC Name(2R,3S,4R,5R,6R)-6-azido-2-(hydroxymethyl)-5-(propan-2-ylideneamino)oxane-3,4-diol
SMILESCC(C)=N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1N=[N+]=[N-]
InChIInChI=1S/C9H16N4O4/c1-4(2)11-6-8(16)7(15)5(3-14)17-9(6)12-13-10/h5-9,14-16H,3H2,1-2H3/t5-,6-,7-,8-,9-/m1/s1
InChIKeyQTUQUWMYGJHZEG-JGKVKWKGSA-N
XLogP-0.41
TPSA131.04 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 5-0.41
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': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

(2R,3R,4R,5R,6R)-2-azido-6-(hydroxymethyl)oxane-3,4,5-triol
CID 124746214
(2R,3R,5R,6R)-2-azido-6-(hydroxymethyl)oxane-3,4,5-triol
CID 140539179
(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
N-[(2S,3R,4R,5S,6S)-2-azido-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 11919003
(2R,3R,4S,5R)-5-azido-4-fluoro-2-(hydroxymethyl)oxolan-3-ol
CID 57135978
(2R,3S,4R,5S)-4-azido-2-(hydroxymethyl)-5-methyloxolan-3-ol
CID 90445154
(2R,3S,4R,5S,6R)-5-azido-6-ethylsulfanyl-2-(hydroxymethyl)oxane-3,4-diol
CID 102371924
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
N-[(2S,3R,4R,5R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]ethanimidate
CID 22870451

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,5R,6R)-6-azido-2-(hydroxymethyl)-5-(propan-2-ylideneamino)oxane-3,4-diol?
The IUPAC name of (2R,3S,4R,5R,6R)-6-azido-2-(hydroxymethyl)-5-(propan-2-ylideneamino)oxane-3,4-diol (CID 131844505) is (2R,3S,4R,5R,6R)-6-azido-2-(hydroxymethyl)-5-(propan-2-ylideneamino)oxane-3,4-diol.
What is the SMILES notation for (2R,3S,4R,5R,6R)-6-azido-2-(hydroxymethyl)-5-(propan-2-ylideneamino)oxane-3,4-diol?
The canonical SMILES for (2R,3S,4R,5R,6R)-6-azido-2-(hydroxymethyl)-5-(propan-2-ylideneamino)oxane-3,4-diol is CC(C)=N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1N=[N+]=[N-].
What is the InChIKey of (2R,3S,4R,5R,6R)-6-azido-2-(hydroxymethyl)-5-(propan-2-ylideneamino)oxane-3,4-diol?
The InChIKey is QTUQUWMYGJHZEG-JGKVKWKGSA-N. The full InChI is InChI=1S/C9H16N4O4/c1-4(2)11-6-8(16)7(15)5(3-14)17-9(6)12-13-10/h5-9,14-16H,3H2,1-2H3/t5-,6-,7-,8-,9-/m1/s1.
What are the key properties of (2R,3S,4R,5R,6R)-6-azido-2-(hydroxymethyl)-5-(propan-2-ylideneamino)oxane-3,4-diol?
(2R,3S,4R,5R,6R)-6-azido-2-(hydroxymethyl)-5-(propan-2-ylideneamino)oxane-3,4-diol has a molecular weight of 244.25 g/mol, XLogP of -0.41, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R,5R,6R)-6-azido-2-(hydroxymethyl)-5-(propan-2-ylideneamino)oxane-3,4-diol is sourced from PubChem (CID 131844505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).