dodecane;pentadecane;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal;propane-1,2,3-triol;tetradecane;tridecane

C63H136O9 — CID 173393072

About dodecane;pentadecane;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal;propane-1,2,3-triol;tetradecane;tridecane

dodecane;pentadecane;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal;propane-1,2,3-triol;tetradecane;tridecane (PubChem CID 173393072) has the molecular formula C63H136O9 and a molecular weight of 1037.77 g/mol. Its IUPAC name is dodecane;pentadecane;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal;propane-1,2,3-triol;tetradecane;tridecane.

Molecular Properties

• Compound Name: dodecane;pentadecane;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal;propane-1,2,3-triol;tetradecane;tridecane
• PubChem CID: 173393072
• Molecular Formula: C63H136O9
• Molecular Weight: 1037.77 g/mol
• Exact Mass: 1037.02
• IUPAC Name: dodecane;pentadecane;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal;propane-1,2,3-triol;tetradecane;tridecane
• SMILES: CCCCCCCCCCCC.CCCCCCCCCCCCC.CCCCCCCCCCCCCC.CCCCCCCCCCCCCCC.O=C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.OCC(O)CO
• InChI: InChI=1S/C15H32.C14H30.C13H28.C12H26.C6H12O6.C3H8O3/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2;1-3-5-7-9-11-13-14-12-10-8-6-4-2;1-3-5-7-9-11-13-12-10-8-6-4-2;1-3-5-7-9-11-12-10-8-6-4-2;7-1-3(9)5(11)6(12)4(10)2-8;4-1-3(6)2-5/h3-15H2,1-2H3;3-14H2,1-2H3;3-13H2,1-2H3;3-12H2,1-2H3;1,3-6,8-12H,2H2;3-6H,1-2H2/t;;;;3-,4+,5+,6+;/m....0./s1
• InChIKey: XVTZIAKDHQVNPZ-KVZAPRLASA-N
• XLogP: 17.00
• TPSA: 178.91 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 9
• Rotatable Bonds: 49
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1037.77
LogP ≤ 5	17.00
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of dodecane;pentadecane;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal;propane-1,2,3-triol;tetradecane;tridecane?

The IUPAC name of dodecane;pentadecane;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal;propane-1,2,3-triol;tetradecane;tridecane (CID 173393072) is dodecane;pentadecane;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal;propane-1,2,3-triol;tetradecane;tridecane.

What is the SMILES notation for dodecane;pentadecane;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal;propane-1,2,3-triol;tetradecane;tridecane?

The canonical SMILES for dodecane;pentadecane;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal;propane-1,2,3-triol;tetradecane;tridecane is CCCCCCCCCCCC.CCCCCCCCCCCCC.CCCCCCCCCCCCCC.CCCCCCCCCCCCCCC.O=C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.OCC(O)CO.

What is the InChIKey of dodecane;pentadecane;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal;propane-1,2,3-triol;tetradecane;tridecane?

The InChIKey is XVTZIAKDHQVNPZ-KVZAPRLASA-N. The full InChI is InChI=1S/C15H32.C14H30.C13H28.C12H26.C6H12O6.C3H8O3/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2;1-3-5-7-9-11-13-14-12-10-8-6-4-2;1-3-5-7-9-11-13-12-10-8-6-4-2;1-3-5-7-9-11-12-10-8-6-4-2;7-1-3(9)5(11)6(12)4(10)2-8;4-1-3(6)2-5/h3-15H2,1-2H3;3-14H2,1-2H3;3-13H2,1-2H3;3-12H2,1-2H3;1,3-6,8-12H,2H2;3-6H,1-2H2/t;;;;3-,4+,5+,6+;/m....0./s1.

What are the key properties of dodecane;pentadecane;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal;propane-1,2,3-triol;tetradecane;tridecane?

dodecane;pentadecane;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal;propane-1,2,3-triol;tetradecane;tridecane has a molecular weight of 1037.77 g/mol, XLogP of 17.00, 49 rotatable bonds, 8 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for dodecane;pentadecane;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal;propane-1,2,3-triol;tetradecane;tridecane is sourced from PubChem (CID 173393072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).