(2R,3R,4R)-4-amino-2-tetradecyloxolan-3-ol

C18H37NO2 — CID 44627054

IUPAC(2R,3R,4R)-4-amino-2-tetradecyloxolan-3-ol
SMILESCCCCCCCCCCCCCC[C@H]1OC[C@@H](N)[C@H]1O
InChIInChI=1S/C18H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-18(20)16(19)15-21-17/h16-18,20H,2-15,19H2,1H3/t16-,17-,18-/m1/s1
InChIKeyFBQCDJRSCUVUFL-KZNAEPCWSA-N
MW299.50 g/mol
LogP4.16
Rot. Bonds13

About (2R,3R,4R)-4-amino-2-tetradecyloxolan-3-ol

(2R,3R,4R)-4-amino-2-tetradecyloxolan-3-ol (PubChem CID 44627054) has the molecular formula C18H37NO2 and a molecular weight of 299.50 g/mol. Its IUPAC name is (2R,3R,4R)-4-amino-2-tetradecyloxolan-3-ol.

Molecular Properties

Compound Name(2R,3R,4R)-4-amino-2-tetradecyloxolan-3-ol
PubChem CID44627054
Molecular FormulaC18H37NO2
Molecular Weight299.50 g/mol
Exact Mass299.28
IUPAC Name(2R,3R,4R)-4-amino-2-tetradecyloxolan-3-ol
SMILESCCCCCCCCCCCCCC[C@H]1OC[C@@H](N)[C@H]1O
InChIInChI=1S/C18H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-18(20)16(19)15-21-17/h16-18,20H,2-15,19H2,1H3/t16-,17-,18-/m1/s1
InChIKeyFBQCDJRSCUVUFL-KZNAEPCWSA-N
XLogP4.16
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.50
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 (2R,3R,4R)-4-amino-2-tetradecyloxolan-3-ol?
The IUPAC name of (2R,3R,4R)-4-amino-2-tetradecyloxolan-3-ol (CID 44627054) is (2R,3R,4R)-4-amino-2-tetradecyloxolan-3-ol.
What is the SMILES notation for (2R,3R,4R)-4-amino-2-tetradecyloxolan-3-ol?
The canonical SMILES for (2R,3R,4R)-4-amino-2-tetradecyloxolan-3-ol is CCCCCCCCCCCCCC[C@H]1OC[C@@H](N)[C@H]1O.
What is the InChIKey of (2R,3R,4R)-4-amino-2-tetradecyloxolan-3-ol?
The InChIKey is FBQCDJRSCUVUFL-KZNAEPCWSA-N. The full InChI is InChI=1S/C18H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-18(20)16(19)15-21-17/h16-18,20H,2-15,19H2,1H3/t16-,17-,18-/m1/s1.
What are the key properties of (2R,3R,4R)-4-amino-2-tetradecyloxolan-3-ol?
(2R,3R,4R)-4-amino-2-tetradecyloxolan-3-ol has a molecular weight of 299.50 g/mol, XLogP of 4.16, 13 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R)-4-amino-2-tetradecyloxolan-3-ol is sourced from PubChem (CID 44627054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).