(2S,3S,10R,12S,14S,15R,16R)-2-amino-12,16-dimethylicosane-3,10,14,15-tetrol

C22H47NO4 — CID 165365457

IUPAC(2S,3S,10R,12S,14S,15R,16R)-2-amino-12,16-dimethylicosane-3,10,14,15-tetrol
SMILESCCCC[C@@H](C)[C@@H](O)[C@@H](O)C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@H](C)N
InChIInChI=1S/C22H47NO4/c1-5-6-11-17(3)22(27)21(26)15-16(2)14-19(24)12-9-7-8-10-13-20(25)18(4)23/h16-22,24-27H,5-15,23H2,1-4H3/t16-,17+,18-,19+,20-,21-,22+/m0/s1
InChIKeyGYWXMRFVVQPVCP-FAGWYDQESA-N
MW389.62 g/mol
LogP3.36
Rot. Bonds17

About (2S,3S,10R,12S,14S,15R,16R)-2-amino-12,16-dimethylicosane-3,10,14,15-tetrol

(2S,3S,10R,12S,14S,15R,16R)-2-amino-12,16-dimethylicosane-3,10,14,15-tetrol (PubChem CID 165365457) has the molecular formula C22H47NO4 and a molecular weight of 389.62 g/mol. Its IUPAC name is (2S,3S,10R,12S,14S,15R,16R)-2-amino-12,16-dimethylicosane-3,10,14,15-tetrol.

Molecular Properties

Compound Name(2S,3S,10R,12S,14S,15R,16R)-2-amino-12,16-dimethylicosane-3,10,14,15-tetrol
PubChem CID165365457
Molecular FormulaC22H47NO4
Molecular Weight389.62 g/mol
Exact Mass389.35
IUPAC Name(2S,3S,10R,12S,14S,15R,16R)-2-amino-12,16-dimethylicosane-3,10,14,15-tetrol
SMILESCCCC[C@@H](C)[C@@H](O)[C@@H](O)C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@H](C)N
InChIInChI=1S/C22H47NO4/c1-5-6-11-17(3)22(27)21(26)15-16(2)14-19(24)12-9-7-8-10-13-20(25)18(4)23/h16-22,24-27H,5-15,23H2,1-4H3/t16-,17+,18-,19+,20-,21-,22+/m0/s1
InChIKeyGYWXMRFVVQPVCP-FAGWYDQESA-N
XLogP3.36
TPSA106.94 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds17
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.62
LogP ≤ 53.36
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (2S,3S,10R,12S,14S,15R,16R)-2-amino-12,16-dimethylicosane-3,10,14,15-tetrol with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (2S,3S,10R,12S,14S,15R,16R)-2-amino-12,16-dimethylicosane-3,10,14,15-tetrol?
The IUPAC name of (2S,3S,10R,12S,14S,15R,16R)-2-amino-12,16-dimethylicosane-3,10,14,15-tetrol (CID 165365457) is (2S,3S,10R,12S,14S,15R,16R)-2-amino-12,16-dimethylicosane-3,10,14,15-tetrol.
What is the SMILES notation for (2S,3S,10R,12S,14S,15R,16R)-2-amino-12,16-dimethylicosane-3,10,14,15-tetrol?
The canonical SMILES for (2S,3S,10R,12S,14S,15R,16R)-2-amino-12,16-dimethylicosane-3,10,14,15-tetrol is CCCC[C@@H](C)[C@@H](O)[C@@H](O)C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@H](C)N.
What is the InChIKey of (2S,3S,10R,12S,14S,15R,16R)-2-amino-12,16-dimethylicosane-3,10,14,15-tetrol?
The InChIKey is GYWXMRFVVQPVCP-FAGWYDQESA-N. The full InChI is InChI=1S/C22H47NO4/c1-5-6-11-17(3)22(27)21(26)15-16(2)14-19(24)12-9-7-8-10-13-20(25)18(4)23/h16-22,24-27H,5-15,23H2,1-4H3/t16-,17+,18-,19+,20-,21-,22+/m0/s1.
What are the key properties of (2S,3S,10R,12S,14S,15R,16R)-2-amino-12,16-dimethylicosane-3,10,14,15-tetrol?
(2S,3S,10R,12S,14S,15R,16R)-2-amino-12,16-dimethylicosane-3,10,14,15-tetrol has a molecular weight of 389.62 g/mol, XLogP of 3.36, 17 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,10R,12S,14S,15R,16R)-2-amino-12,16-dimethylicosane-3,10,14,15-tetrol is sourced from PubChem (CID 165365457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).