(2S,3S,4R)-2-azidodecane-1,3,4-triol

C10H21N3O3 — CID 90749727

IUPAC(2S,3S,4R)-2-azidodecane-1,3,4-triol
SMILESCCCCCC[C@@H](O)[C@@H](O)[C@H](CO)N=[N+]=[N-]
InChIInChI=1S/C10H21N3O3/c1-2-3-4-5-6-9(15)10(16)8(7-14)12-13-11/h8-10,14-16H,2-7H2,1H3/t8-,9+,10-/m0/s1
InChIKeyGQPAQJNVAUNFRE-AEJSXWLSSA-N
MW231.30 g/mol
LogP1.35
Rot. Bonds9

About (2S,3S,4R)-2-azidodecane-1,3,4-triol

(2S,3S,4R)-2-azidodecane-1,3,4-triol (PubChem CID 90749727) has the molecular formula C10H21N3O3 and a molecular weight of 231.30 g/mol. Its IUPAC name is (2S,3S,4R)-2-azidodecane-1,3,4-triol.

Molecular Properties

Compound Name(2S,3S,4R)-2-azidodecane-1,3,4-triol
PubChem CID90749727
Molecular FormulaC10H21N3O3
Molecular Weight231.30 g/mol
Exact Mass231.16
IUPAC Name(2S,3S,4R)-2-azidodecane-1,3,4-triol
SMILESCCCCCC[C@@H](O)[C@@H](O)[C@H](CO)N=[N+]=[N-]
InChIInChI=1S/C10H21N3O3/c1-2-3-4-5-6-9(15)10(16)8(7-14)12-13-11/h8-10,14-16H,2-7H2,1H3/t8-,9+,10-/m0/s1
InChIKeyGQPAQJNVAUNFRE-AEJSXWLSSA-N
XLogP1.35
TPSA109.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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'}

Analyze (2S,3S,4R)-2-azidodecane-1,3,4-triol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-azidooctadecane-1,3,4-triol
CID 14017259
(2S,3R,4R,5R)-nonadecane-1,2,3,4,5-pentol
CID 135030850
6,7-diazidododecane
CID 122603304
(2R,3S)-3-azidobutane-1,2,4-triol
CID 101049712
(2R,3R)-undecane-1,2,3-triol
CID 15641124
(2S,3S)-decane-1,2,3-triol
CID 12619492
2-aminodocosane-1,3,4-triol
CID 73238284
(2S,3S,4S)-2-aminohexadecane-1,3,4-triol
CID 163003966
(2R,3S)-2-aminooctadecane-1,3,4-triol
CID 123143330
nonacosane-14,15-diol
CID 91509633
2-methyldodecane-3,4-diol
CID 103456553
tridecane-2,3,4-triol
CID 90443062

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4R)-2-azidodecane-1,3,4-triol?
The IUPAC name of (2S,3S,4R)-2-azidodecane-1,3,4-triol (CID 90749727) is (2S,3S,4R)-2-azidodecane-1,3,4-triol.
What is the SMILES notation for (2S,3S,4R)-2-azidodecane-1,3,4-triol?
The canonical SMILES for (2S,3S,4R)-2-azidodecane-1,3,4-triol is CCCCCC[C@@H](O)[C@@H](O)[C@H](CO)N=[N+]=[N-].
What is the InChIKey of (2S,3S,4R)-2-azidodecane-1,3,4-triol?
The InChIKey is GQPAQJNVAUNFRE-AEJSXWLSSA-N. The full InChI is InChI=1S/C10H21N3O3/c1-2-3-4-5-6-9(15)10(16)8(7-14)12-13-11/h8-10,14-16H,2-7H2,1H3/t8-,9+,10-/m0/s1.
What are the key properties of (2S,3S,4R)-2-azidodecane-1,3,4-triol?
(2S,3S,4R)-2-azidodecane-1,3,4-triol has a molecular weight of 231.30 g/mol, XLogP of 1.35, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4R)-2-azidodecane-1,3,4-triol is sourced from PubChem (CID 90749727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).