(2S,3S)-3-azido-4-cyclohexylbutane-1,2-diol

C10H19N3O2 — CID 11009289

IUPAC(2S,3S)-3-azido-4-cyclohexylbutane-1,2-diol
SMILES[N-]=[N+]=N[C@@H](CC1CCCCC1)[C@H](O)CO
InChIInChI=1S/C10H19N3O2/c11-13-12-9(10(15)7-14)6-8-4-2-1-3-5-8/h8-10,14-15H,1-7H2/t9-,10+/m0/s1
InChIKeyFWRIVNLGQNKSCG-VHSXEESVSA-N
MW213.28 g/mol
LogP1.99
Rot. Bonds5

About (2S,3S)-3-azido-4-cyclohexylbutane-1,2-diol

(2S,3S)-3-azido-4-cyclohexylbutane-1,2-diol (PubChem CID 11009289) has the molecular formula C10H19N3O2 and a molecular weight of 213.28 g/mol. Its IUPAC name is (2S,3S)-3-azido-4-cyclohexylbutane-1,2-diol.

Molecular Properties

Compound Name(2S,3S)-3-azido-4-cyclohexylbutane-1,2-diol
PubChem CID11009289
Molecular FormulaC10H19N3O2
Molecular Weight213.28 g/mol
Exact Mass213.15
IUPAC Name(2S,3S)-3-azido-4-cyclohexylbutane-1,2-diol
SMILES[N-]=[N+]=N[C@@H](CC1CCCCC1)[C@H](O)CO
InChIInChI=1S/C10H19N3O2/c11-13-12-9(10(15)7-14)6-8-4-2-1-3-5-8/h8-10,14-15H,1-7H2/t9-,10+/m0/s1
InChIKeyFWRIVNLGQNKSCG-VHSXEESVSA-N
XLogP1.99
TPSA89.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

(2R,3S)-3-azidobutane-1,2,4-triol
CID 101049712
methyl (2S,3S)-3-azido-4-cyclohexyl-2-trimethylsilyloxybutanoate
CID 11099031
(2S,3R)-4-amino-1-azido-5-cyclohexylpentane-2,3-diol
CID 58964071
(3R,4S)-4-amino-5-cyclohexylpentane-1,2,3-triol
CID 57086179
(4R,5S)-5-amino-6-cyclohexylhexane-1,2,3,4-tetrol
CID 54442310
3-cyclohexyl-3-(1-cyclohexyl-2,3-dihydroxypropoxy)propane-1,2-diol
CID 175394347
methyl (2S,3S)-3-amino-2-azido-4-cyclohexylbutanoate;hydrochloride
CID 18631415
(1-cyclohexyl-3-hydroxypropan-2-yl)azanium
CID 4068949
(2R)-2-bromo-3-cyclohexylpropan-1-ol
CID 135056962
(2R)-1-cyclohexylbutan-2-ol
CID 59949714
(1R)-2-azido-1-cyclopentylethanol
CID 83093623
(2R)-3-cyclopentyl-2-fluoropropan-1-ol
CID 129375583

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-azido-4-cyclohexylbutane-1,2-diol?
The IUPAC name of (2S,3S)-3-azido-4-cyclohexylbutane-1,2-diol (CID 11009289) is (2S,3S)-3-azido-4-cyclohexylbutane-1,2-diol.
What is the SMILES notation for (2S,3S)-3-azido-4-cyclohexylbutane-1,2-diol?
The canonical SMILES for (2S,3S)-3-azido-4-cyclohexylbutane-1,2-diol is [N-]=[N+]=N[C@@H](CC1CCCCC1)[C@H](O)CO.
What is the InChIKey of (2S,3S)-3-azido-4-cyclohexylbutane-1,2-diol?
The InChIKey is FWRIVNLGQNKSCG-VHSXEESVSA-N. The full InChI is InChI=1S/C10H19N3O2/c11-13-12-9(10(15)7-14)6-8-4-2-1-3-5-8/h8-10,14-15H,1-7H2/t9-,10+/m0/s1.
What are the key properties of (2S,3S)-3-azido-4-cyclohexylbutane-1,2-diol?
(2S,3S)-3-azido-4-cyclohexylbutane-1,2-diol has a molecular weight of 213.28 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-azido-4-cyclohexylbutane-1,2-diol is sourced from PubChem (CID 11009289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).