(4S,5S)-3-azido-2,4,5,6-tetramethyloxane

C9H17N3O — CID 161426107

IUPAC(4S,5S)-3-azido-2,4,5,6-tetramethyloxane
SMILESCC1OC(C)[C@@H](C)[C@H](C)C1N=[N+]=[N-]
InChIInChI=1S/C9H17N3O/c1-5-6(2)9(11-12-10)8(4)13-7(5)3/h5-9H,1-4H3/t5-,6-,7?,8?,9?/m0/s1
InChIKeyVXJMKPXANSSJKC-MZLQIHHMSA-N
MW183.25 g/mol
LogP2.74
Rot. Bonds1

About (4S,5S)-3-azido-2,4,5,6-tetramethyloxane

(4S,5S)-3-azido-2,4,5,6-tetramethyloxane (PubChem CID 161426107) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is (4S,5S)-3-azido-2,4,5,6-tetramethyloxane.

Molecular Properties

Compound Name(4S,5S)-3-azido-2,4,5,6-tetramethyloxane
PubChem CID161426107
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name(4S,5S)-3-azido-2,4,5,6-tetramethyloxane
SMILESCC1OC(C)[C@@H](C)[C@H](C)C1N=[N+]=[N-]
InChIInChI=1S/C9H17N3O/c1-5-6(2)9(11-12-10)8(4)13-7(5)3/h5-9H,1-4H3/t5-,6-,7?,8?,9?/m0/s1
InChIKeyVXJMKPXANSSJKC-MZLQIHHMSA-N
XLogP2.74
TPSA57.99 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

(3R,4R)-3-[(2S,4S,5R)-3-azido-6-ethyl-4,5-dimethyloxan-2-yl]oxy-2,4,5,6-tetramethyloxane
CID 59979643
(2S)-2-azido-3-methyloxirane
CID 141301060
[(4S,5S)-2-acetyloxy-5-azido-4,6-dimethyloxan-3-yl] acetate
CID 118933629
(2R,3S,4R,5S)-4-azido-2-(hydroxymethyl)-5-methyloxolan-3-ol
CID 90445154
(4S,5S)-5-azido-4,6-dimethyloxan-3-ol
CID 157349847
1-(3-azido-4,5-dimethyloxolan-2-yl)ethane-1,2-diol
CID 59025337
(5R)-2,3,4,5,6-pentamethyloxane
CID 59269885
(2R,3R,4R,5S,6S)-3,5-diazido-2-methoxy-6-methyloxan-4-ol
CID 101338794
[(2R,3S,4S,5R,6S)-2-acetyloxy-3,5-diazido-6-methyloxan-4-yl] acetate
CID 23249254
(3R,4S)-5-azido-2-[(4-methoxyphenyl)methoxymethyl]-3,4,6-trimethyloxane
CID 58183798
[(2R,3R,4S,5R,6S)-3,5-diazido-2-methoxy-6-methyloxan-4-yl] acetate
CID 23249240
(2-azido-4,5,6-trimethyloxan-3-yl) acetate
CID 121403642

Frequently Asked Questions

What is the IUPAC name of (4S,5S)-3-azido-2,4,5,6-tetramethyloxane?
The IUPAC name of (4S,5S)-3-azido-2,4,5,6-tetramethyloxane (CID 161426107) is (4S,5S)-3-azido-2,4,5,6-tetramethyloxane.
What is the SMILES notation for (4S,5S)-3-azido-2,4,5,6-tetramethyloxane?
The canonical SMILES for (4S,5S)-3-azido-2,4,5,6-tetramethyloxane is CC1OC(C)[C@@H](C)[C@H](C)C1N=[N+]=[N-].
What is the InChIKey of (4S,5S)-3-azido-2,4,5,6-tetramethyloxane?
The InChIKey is VXJMKPXANSSJKC-MZLQIHHMSA-N. The full InChI is InChI=1S/C9H17N3O/c1-5-6(2)9(11-12-10)8(4)13-7(5)3/h5-9H,1-4H3/t5-,6-,7?,8?,9?/m0/s1.
What are the key properties of (4S,5S)-3-azido-2,4,5,6-tetramethyloxane?
(4S,5S)-3-azido-2,4,5,6-tetramethyloxane has a molecular weight of 183.25 g/mol, XLogP of 2.74, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-3-azido-2,4,5,6-tetramethyloxane is sourced from PubChem (CID 161426107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).