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

C18H34N4O3 — CID 73054244

IUPAC(2S,3S,4S)-4-amino-2-[(1-decyltriazol-4-yl)methoxymethyl]oxolan-3-ol
SMILESCCCCCCCCCCn1cc(COC[C@@H]2OC[C@H](N)[C@@H]2O)nn1
InChIInChI=1S/C18H34N4O3/c1-2-3-4-5-6-7-8-9-10-22-11-15(20-21-22)12-24-14-17-18(23)16(19)13-25-17/h11,16-18,23H,2-10,12-14,19H2,1H3/t16-,17-,18-/m0/s1
InChIKeyCDPSIMLMULZONU-BZSNNMDCSA-N
MW354.50 g/mol
LogP2.02
Rot. Bonds13

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

(2S,3S,4S)-4-amino-2-[(1-decyltriazol-4-yl)methoxymethyl]oxolan-3-ol (PubChem CID 73054244) has the molecular formula C18H34N4O3 and a molecular weight of 354.50 g/mol. Its IUPAC name is (2S,3S,4S)-4-amino-2-[(1-decyltriazol-4-yl)methoxymethyl]oxolan-3-ol.

Molecular Properties

Compound Name(2S,3S,4S)-4-amino-2-[(1-decyltriazol-4-yl)methoxymethyl]oxolan-3-ol
PubChem CID73054244
Molecular FormulaC18H34N4O3
Molecular Weight354.50 g/mol
Exact Mass354.26
IUPAC Name(2S,3S,4S)-4-amino-2-[(1-decyltriazol-4-yl)methoxymethyl]oxolan-3-ol
SMILESCCCCCCCCCCn1cc(COC[C@@H]2OC[C@H](N)[C@@H]2O)nn1
InChIInChI=1S/C18H34N4O3/c1-2-3-4-5-6-7-8-9-10-22-11-15(20-21-22)12-24-14-17-18(23)16(19)13-25-17/h11,16-18,23H,2-10,12-14,19H2,1H3/t16-,17-,18-/m0/s1
InChIKeyCDPSIMLMULZONU-BZSNNMDCSA-N
XLogP2.02
TPSA95.42 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.50
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S,3S,4S)-4-amino-2-[(1-decyltriazol-4-yl)methoxymethyl]oxolan-3-ol?
The IUPAC name of (2S,3S,4S)-4-amino-2-[(1-decyltriazol-4-yl)methoxymethyl]oxolan-3-ol (CID 73054244) is (2S,3S,4S)-4-amino-2-[(1-decyltriazol-4-yl)methoxymethyl]oxolan-3-ol.
What is the SMILES notation for (2S,3S,4S)-4-amino-2-[(1-decyltriazol-4-yl)methoxymethyl]oxolan-3-ol?
The canonical SMILES for (2S,3S,4S)-4-amino-2-[(1-decyltriazol-4-yl)methoxymethyl]oxolan-3-ol is CCCCCCCCCCn1cc(COC[C@@H]2OC[C@H](N)[C@@H]2O)nn1.
What is the InChIKey of (2S,3S,4S)-4-amino-2-[(1-decyltriazol-4-yl)methoxymethyl]oxolan-3-ol?
The InChIKey is CDPSIMLMULZONU-BZSNNMDCSA-N. The full InChI is InChI=1S/C18H34N4O3/c1-2-3-4-5-6-7-8-9-10-22-11-15(20-21-22)12-24-14-17-18(23)16(19)13-25-17/h11,16-18,23H,2-10,12-14,19H2,1H3/t16-,17-,18-/m0/s1.
What are the key properties of (2S,3S,4S)-4-amino-2-[(1-decyltriazol-4-yl)methoxymethyl]oxolan-3-ol?
(2S,3S,4S)-4-amino-2-[(1-decyltriazol-4-yl)methoxymethyl]oxolan-3-ol has a molecular weight of 354.50 g/mol, XLogP of 2.02, 13 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-decyltriazol-4-yl)methoxymethyl]oxolan-3-ol is sourced from PubChem (CID 73054244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).