6-[2-[(3S)-7-amino-2-oxoheptan-3-yl]hydrazinyl]-N-[3-[(2R,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxypropyl]-6-oxohexanamide

C34H62N4O19 — CID 164936239

About 6-[2-[(3S)-7-amino-2-oxoheptan-3-yl]hydrazinyl]-N-[3-[(2R,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxypropyl]-6-oxohexanamide

6-[2-[(3S)-7-amino-2-oxoheptan-3-yl]hydrazinyl]-N-[3-[(2R,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxypropyl]-6-oxohexanamide (PubChem CID 164936239) has the molecular formula C34H62N4O19 and a molecular weight of 830.88 g/mol. Its IUPAC name is 6-[2-[(3S)-7-amino-2-oxoheptan-3-yl]hydrazinyl]-N-[3-[(2R,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxypropyl]-6-oxohexanamide.

Molecular Properties

• Compound Name: 6-[2-[(3S)-7-amino-2-oxoheptan-3-yl]hydrazinyl]-N-[3-[(2R,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxypropyl]-6-oxohexanamide
• PubChem CID: 164936239
• Molecular Formula: C34H62N4O19
• Molecular Weight: 830.88 g/mol
• Exact Mass: 830.40
• IUPAC Name: 6-[2-[(3S)-7-amino-2-oxoheptan-3-yl]hydrazinyl]-N-[3-[(2R,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxypropyl]-6-oxohexanamide
• SMILES: CC(=O)[C@H](CCCCN)NNC(=O)CCCCC(=O)NCCCO[C@@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H]1O
• InChI: InChI=1S/C34H62N4O19/c1-16(41)17(7-4-5-10-35)37-38-22(43)9-3-2-8-21(42)36-11-6-12-52-33-30(51)31(57-34-29(50)27(48)24(45)19(14-40)55-34)25(46)20(56-33)15-53-32-28(49)26(47)23(44)18(13-39)54-32/h17-20,23-34,37,39-40,44-51H,2-15,35H2,1H3,(H,36,42)(H,38,43)/t17-,18+,19+,20+,23+,24+,25+,26-,27-,28-,29-,30-,31-,32-,33+,34+/m0/s1
• InChIKey: AJHOUYRXTYNEGJ-OMDYFAAVSA-N
• XLogP: -6.77
• TPSA: 371.00 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 21
• Rotatable Bonds: 24
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	830.88
LogP ≤ 5	-6.77
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-[2-[(3S)-7-amino-2-oxoheptan-3-yl]hydrazinyl]-N-[3-[(2R,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxypropyl]-6-oxohexanamide?

The IUPAC name of 6-[2-[(3S)-7-amino-2-oxoheptan-3-yl]hydrazinyl]-N-[3-[(2R,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxypropyl]-6-oxohexanamide (CID 164936239) is 6-[2-[(3S)-7-amino-2-oxoheptan-3-yl]hydrazinyl]-N-[3-[(2R,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxypropyl]-6-oxohexanamide.

What is the SMILES notation for 6-[2-[(3S)-7-amino-2-oxoheptan-3-yl]hydrazinyl]-N-[3-[(2R,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxypropyl]-6-oxohexanamide?

The canonical SMILES for 6-[2-[(3S)-7-amino-2-oxoheptan-3-yl]hydrazinyl]-N-[3-[(2R,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxypropyl]-6-oxohexanamide is CC(=O)[C@H](CCCCN)NNC(=O)CCCCC(=O)NCCCO[C@@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H]1O.

What is the InChIKey of 6-[2-[(3S)-7-amino-2-oxoheptan-3-yl]hydrazinyl]-N-[3-[(2R,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxypropyl]-6-oxohexanamide?

The InChIKey is AJHOUYRXTYNEGJ-OMDYFAAVSA-N. The full InChI is InChI=1S/C34H62N4O19/c1-16(41)17(7-4-5-10-35)37-38-22(43)9-3-2-8-21(42)36-11-6-12-52-33-30(51)31(57-34-29(50)27(48)24(45)19(14-40)55-34)25(46)20(56-33)15-53-32-28(49)26(47)23(44)18(13-39)54-32/h17-20,23-34,37,39-40,44-51H,2-15,35H2,1H3,(H,36,42)(H,38,43)/t17-,18+,19+,20+,23+,24+,25+,26-,27-,28-,29-,30-,31-,32-,33+,34+/m0/s1.

What are the key properties of 6-[2-[(3S)-7-amino-2-oxoheptan-3-yl]hydrazinyl]-N-[3-[(2R,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxypropyl]-6-oxohexanamide?

6-[2-[(3S)-7-amino-2-oxoheptan-3-yl]hydrazinyl]-N-[3-[(2R,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxypropyl]-6-oxohexanamide has a molecular weight of 830.88 g/mol, XLogP of -6.77, 24 rotatable bonds, 14 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2-[(3S)-7-amino-2-oxoheptan-3-yl]hydrazinyl]-N-[3-[(2R,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxypropyl]-6-oxohexanamide is sourced from PubChem (CID 164936239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).