(2S,3S,4S)-4-amino-2-[(1-dodecyltriazol-4-yl)methoxymethyl]oxolan-3-ol

C20H38N4O3 — CID 73054245

IUPAC(2S,3S,4S)-4-amino-2-[(1-dodecyltriazol-4-yl)methoxymethyl]oxolan-3-ol
SMILESCCCCCCCCCCCCn1cc(COC[C@@H]2OC[C@H](N)[C@@H]2O)nn1
InChIInChI=1S/C20H38N4O3/c1-2-3-4-5-6-7-8-9-10-11-12-24-13-17(22-23-24)14-26-16-19-20(25)18(21)15-27-19/h13,18-20,25H,2-12,14-16,21H2,1H3/t18-,19-,20-/m0/s1
InChIKeyXCDGXWSTBDSXJP-UFYCRDLUSA-N
MW382.55 g/mol
LogP2.80
Rot. Bonds15

About (2S,3S,4S)-4-amino-2-[(1-dodecyltriazol-4-yl)methoxymethyl]oxolan-3-ol

(2S,3S,4S)-4-amino-2-[(1-dodecyltriazol-4-yl)methoxymethyl]oxolan-3-ol (PubChem CID 73054245) has the molecular formula C20H38N4O3 and a molecular weight of 382.55 g/mol. Its IUPAC name is (2S,3S,4S)-4-amino-2-[(1-dodecyltriazol-4-yl)methoxymethyl]oxolan-3-ol.

Molecular Properties

Compound Name(2S,3S,4S)-4-amino-2-[(1-dodecyltriazol-4-yl)methoxymethyl]oxolan-3-ol
PubChem CID73054245
Molecular FormulaC20H38N4O3
Molecular Weight382.55 g/mol
Exact Mass382.29
IUPAC Name(2S,3S,4S)-4-amino-2-[(1-dodecyltriazol-4-yl)methoxymethyl]oxolan-3-ol
SMILESCCCCCCCCCCCCn1cc(COC[C@@H]2OC[C@H](N)[C@@H]2O)nn1
InChIInChI=1S/C20H38N4O3/c1-2-3-4-5-6-7-8-9-10-11-12-24-13-17(22-23-24)14-26-16-19-20(25)18(21)15-27-19/h13,18-20,25H,2-12,14-16,21H2,1H3/t18-,19-,20-/m0/s1
InChIKeyXCDGXWSTBDSXJP-UFYCRDLUSA-N
XLogP2.80
TPSA95.42 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds15
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.55
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (2S,3S,4S)-4-amino-2-[(1-dodecyltriazol-4-yl)methoxymethyl]oxolan-3-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4S)-4-amino-2-[(1-dodecyltriazol-4-yl)methoxymethyl]oxolan-3-ol?
The IUPAC name of (2S,3S,4S)-4-amino-2-[(1-dodecyltriazol-4-yl)methoxymethyl]oxolan-3-ol (CID 73054245) is (2S,3S,4S)-4-amino-2-[(1-dodecyltriazol-4-yl)methoxymethyl]oxolan-3-ol.
What is the SMILES notation for (2S,3S,4S)-4-amino-2-[(1-dodecyltriazol-4-yl)methoxymethyl]oxolan-3-ol?
The canonical SMILES for (2S,3S,4S)-4-amino-2-[(1-dodecyltriazol-4-yl)methoxymethyl]oxolan-3-ol is CCCCCCCCCCCCn1cc(COC[C@@H]2OC[C@H](N)[C@@H]2O)nn1.
What is the InChIKey of (2S,3S,4S)-4-amino-2-[(1-dodecyltriazol-4-yl)methoxymethyl]oxolan-3-ol?
The InChIKey is XCDGXWSTBDSXJP-UFYCRDLUSA-N. The full InChI is InChI=1S/C20H38N4O3/c1-2-3-4-5-6-7-8-9-10-11-12-24-13-17(22-23-24)14-26-16-19-20(25)18(21)15-27-19/h13,18-20,25H,2-12,14-16,21H2,1H3/t18-,19-,20-/m0/s1.
What are the key properties of (2S,3S,4S)-4-amino-2-[(1-dodecyltriazol-4-yl)methoxymethyl]oxolan-3-ol?
(2S,3S,4S)-4-amino-2-[(1-dodecyltriazol-4-yl)methoxymethyl]oxolan-3-ol has a molecular weight of 382.55 g/mol, XLogP of 2.80, 15 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4S)-4-amino-2-[(1-dodecyltriazol-4-yl)methoxymethyl]oxolan-3-ol is sourced from PubChem (CID 73054245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).