1,1-dimethyl-2-propylhydrazine;(2S,3R,4R,5R)-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexane-1,2,3,5,6-pentol

C17H38N2O11 — CID 67554026

About 1,1-dimethyl-2-propylhydrazine;(2S,3R,4R,5R)-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexane-1,2,3,5,6-pentol

1,1-dimethyl-2-propylhydrazine;(2S,3R,4R,5R)-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexane-1,2,3,5,6-pentol (PubChem CID 67554026) has the molecular formula C17H38N2O11 and a molecular weight of 446.49 g/mol. Its IUPAC name is 1,1-dimethyl-2-propylhydrazine;(2S,3R,4R,5R)-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexane-1,2,3,5,6-pentol.

Molecular Properties

• Compound Name: 1,1-dimethyl-2-propylhydrazine;(2S,3R,4R,5R)-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexane-1,2,3,5,6-pentol
• PubChem CID: 67554026
• Molecular Formula: C17H38N2O11
• Molecular Weight: 446.49 g/mol
• Exact Mass: 446.25
• IUPAC Name: 1,1-dimethyl-2-propylhydrazine;(2S,3R,4R,5R)-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexane-1,2,3,5,6-pentol
• SMILES: CCCNN(C)C.OC[C@@H](O)[C@@H](O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@@H](O)CO
• InChI: InChI=1S/C12H24O11.C5H14N2/c13-1-4(16)7(18)11(5(17)2-14)23-12-10(21)9(20)8(19)6(3-15)22-12;1-4-5-6-7(2)3/h4-21H,1-3H2;6H,4-5H2,1-3H3/t4-,5+,6+,7+,8+,9-,10+,11+,12+;/m0./s1
• InChIKey: RCDOBLHQLAQIAJ-DNDLZOGFSA-N
• XLogP: -5.30
• TPSA: 215.80 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 13
• Rotatable Bonds: 11
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	446.49
LogP ≤ 5	-5.30
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-2-propylhydrazine;(2S,3R,4R,5R)-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexane-1,2,3,5,6-pentol?

The IUPAC name of 1,1-dimethyl-2-propylhydrazine;(2S,3R,4R,5R)-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexane-1,2,3,5,6-pentol (CID 67554026) is 1,1-dimethyl-2-propylhydrazine;(2S,3R,4R,5R)-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexane-1,2,3,5,6-pentol.

What is the SMILES notation for 1,1-dimethyl-2-propylhydrazine;(2S,3R,4R,5R)-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexane-1,2,3,5,6-pentol?

The canonical SMILES for 1,1-dimethyl-2-propylhydrazine;(2S,3R,4R,5R)-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexane-1,2,3,5,6-pentol is CCCNN(C)C.OC[C@@H](O)[C@@H](O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@@H](O)CO.

What is the InChIKey of 1,1-dimethyl-2-propylhydrazine;(2S,3R,4R,5R)-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexane-1,2,3,5,6-pentol?

The InChIKey is RCDOBLHQLAQIAJ-DNDLZOGFSA-N. The full InChI is InChI=1S/C12H24O11.C5H14N2/c13-1-4(16)7(18)11(5(17)2-14)23-12-10(21)9(20)8(19)6(3-15)22-12;1-4-5-6-7(2)3/h4-21H,1-3H2;6H,4-5H2,1-3H3/t4-,5+,6+,7+,8+,9-,10+,11+,12+;/m0./s1.

What are the key properties of 1,1-dimethyl-2-propylhydrazine;(2S,3R,4R,5R)-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexane-1,2,3,5,6-pentol?

1,1-dimethyl-2-propylhydrazine;(2S,3R,4R,5R)-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexane-1,2,3,5,6-pentol has a molecular weight of 446.49 g/mol, XLogP of -5.30, 11 rotatable bonds, 10 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 1,1-dimethyl-2-propylhydrazine;(2S,3R,4R,5R)-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexane-1,2,3,5,6-pentol is sourced from PubChem (CID 67554026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).