(2S,3S)-3-aminoheptadecane-1,2-diol

C17H37NO2 — CID 10085469

IUPAC(2S,3S)-3-aminoheptadecane-1,2-diol
SMILESCCCCCCCCCCCCCC[C@H](N)[C@H](O)CO
InChIInChI=1S/C17H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16(18)17(20)15-19/h16-17,19-20H,2-15,18H2,1H3/t16-,17+/m0/s1
InChIKeyUIGBLHZVXJZZQE-DLBZAZTESA-N
MW287.49 g/mol
LogP3.76
Rot. Bonds15

About (2S,3S)-3-aminoheptadecane-1,2-diol

(2S,3S)-3-aminoheptadecane-1,2-diol (PubChem CID 10085469) has the molecular formula C17H37NO2 and a molecular weight of 287.49 g/mol. Its IUPAC name is (2S,3S)-3-aminoheptadecane-1,2-diol.

Molecular Properties

Compound Name(2S,3S)-3-aminoheptadecane-1,2-diol
PubChem CID10085469
Molecular FormulaC17H37NO2
Molecular Weight287.49 g/mol
Exact Mass287.28
IUPAC Name(2S,3S)-3-aminoheptadecane-1,2-diol
SMILESCCCCCCCCCCCCCC[C@H](N)[C@H](O)CO
InChIInChI=1S/C17H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16(18)17(20)15-19/h16-17,19-20H,2-15,18H2,1H3/t16-,17+/m0/s1
InChIKeyUIGBLHZVXJZZQE-DLBZAZTESA-N
XLogP3.76
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.49
LogP ≤ 53.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2S,3S)-3-aminoheptadecane-1,2-diol 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

13-aminoheptacosan-12-ol
CID 118194809
(2S)-2-aminopentadecane-1,3-diol
CID 71424335
2-aminopentadecane-1,3-diol
CID 56979816
(2S,3R)-2-aminodocosane-1,3-diol
CID 10247786
(4S,5S)-4-aminotridecan-5-ol
CID 10584805
(2S,3S)-decane-1,2,3-triol
CID 12619492
(2R,3R)-undecane-1,2,3-triol
CID 15641124
10,18-diaminooctadecan-9-ol
CID 19842914
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
3-aminononane-1,4-diol
CID 87704254

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-aminoheptadecane-1,2-diol?
The IUPAC name of (2S,3S)-3-aminoheptadecane-1,2-diol (CID 10085469) is (2S,3S)-3-aminoheptadecane-1,2-diol.
What is the SMILES notation for (2S,3S)-3-aminoheptadecane-1,2-diol?
The canonical SMILES for (2S,3S)-3-aminoheptadecane-1,2-diol is CCCCCCCCCCCCCC[C@H](N)[C@H](O)CO.
What is the InChIKey of (2S,3S)-3-aminoheptadecane-1,2-diol?
The InChIKey is UIGBLHZVXJZZQE-DLBZAZTESA-N. The full InChI is InChI=1S/C17H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16(18)17(20)15-19/h16-17,19-20H,2-15,18H2,1H3/t16-,17+/m0/s1.
What are the key properties of (2S,3S)-3-aminoheptadecane-1,2-diol?
(2S,3S)-3-aminoheptadecane-1,2-diol has a molecular weight of 287.49 g/mol, XLogP of 3.76, 15 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-aminoheptadecane-1,2-diol is sourced from PubChem (CID 10085469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).