(4R,5R,6S)-4-azido-6-methyloxane-2,5-diol

C6H11N3O3 — CID 16679756

IUPAC(4R,5R,6S)-4-azido-6-methyloxane-2,5-diol
SMILESC[C@@H]1OC(O)C[C@@H](N=[N+]=[N-])[C@H]1O
InChIInChI=1S/C6H11N3O3/c1-3-6(11)4(8-9-7)2-5(10)12-3/h3-6,10-11H,2H2,1H3/t3-,4+,5?,6-/m0/s1
InChIKeyBBVVQQKDDOWDEI-DDVDLICKSA-N
MW173.17 g/mol
LogP0.15
Rot. Bonds1

About (4R,5R,6S)-4-azido-6-methyloxane-2,5-diol

(4R,5R,6S)-4-azido-6-methyloxane-2,5-diol (PubChem CID 16679756) has the molecular formula C6H11N3O3 and a molecular weight of 173.17 g/mol. Its IUPAC name is (4R,5R,6S)-4-azido-6-methyloxane-2,5-diol.

Molecular Properties

Compound Name(4R,5R,6S)-4-azido-6-methyloxane-2,5-diol
PubChem CID16679756
Molecular FormulaC6H11N3O3
Molecular Weight173.17 g/mol
Exact Mass173.08
IUPAC Name(4R,5R,6S)-4-azido-6-methyloxane-2,5-diol
SMILESC[C@@H]1OC(O)C[C@@H](N=[N+]=[N-])[C@H]1O
InChIInChI=1S/C6H11N3O3/c1-3-6(11)4(8-9-7)2-5(10)12-3/h3-6,10-11H,2H2,1H3/t3-,4+,5?,6-/m0/s1
InChIKeyBBVVQQKDDOWDEI-DDVDLICKSA-N
XLogP0.15
TPSA98.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.17
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

(2S,4S,5S,6R)-6-methyloxane-2,4,5-triol
CID 6543736
trans-(1S,2S)-1-(15N)azido-2-methylcyclopropane
CID 10749143
1-[(2S,4R,5R,6S)-4-azido-5-hydroxy-6-methyloxan-2-yl]-5-methylpyrimidine-2,4-dione
CID 21145804
trans-(3R,4R)-3,4-diazidocyclopentan-1-ol
CID 173485365
2,5-diazidocyclopentan-1-ol
CID 85255446
(1S,2S,4S,5S)-2,5-diazidocyclohexane-1,4-diol
CID 131137989
(5S,6S)-4-amino-6-methyloxane-2,5-diol
CID 55284628
[(2S,5S)-3-azido-5-methyloxolan-2-yl]methanol
CID 59967386
[(2S,3R,5S)-3-azido-5-methyloxolan-2-yl]methanol
CID 140536388
(1R,2S,3R,5R)-3-azido-5-propan-2-ylcyclohexane-1,2-diol
CID 11106344
(2S,5S)-4-amino-6-methyloxane-2,5-diol;hydrochloride
CID 91980014
[(1R,2R,3S,5R,6S)-3,5-diazido-2-hydroxy-6-methylcyclohexyl] acetate
CID 167589067

Frequently Asked Questions

What is the IUPAC name of (4R,5R,6S)-4-azido-6-methyloxane-2,5-diol?
The IUPAC name of (4R,5R,6S)-4-azido-6-methyloxane-2,5-diol (CID 16679756) is (4R,5R,6S)-4-azido-6-methyloxane-2,5-diol.
What is the SMILES notation for (4R,5R,6S)-4-azido-6-methyloxane-2,5-diol?
The canonical SMILES for (4R,5R,6S)-4-azido-6-methyloxane-2,5-diol is C[C@@H]1OC(O)C[C@@H](N=[N+]=[N-])[C@H]1O.
What is the InChIKey of (4R,5R,6S)-4-azido-6-methyloxane-2,5-diol?
The InChIKey is BBVVQQKDDOWDEI-DDVDLICKSA-N. The full InChI is InChI=1S/C6H11N3O3/c1-3-6(11)4(8-9-7)2-5(10)12-3/h3-6,10-11H,2H2,1H3/t3-,4+,5?,6-/m0/s1.
What are the key properties of (4R,5R,6S)-4-azido-6-methyloxane-2,5-diol?
(4R,5R,6S)-4-azido-6-methyloxane-2,5-diol has a molecular weight of 173.17 g/mol, XLogP of 0.15, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R,6S)-4-azido-6-methyloxane-2,5-diol is sourced from PubChem (CID 16679756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).