6-[2-[(2S)-6-amino-1-oxohexan-2-yl]hydrazinyl]-N-[2-[(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]oxyethyl]-6-oxohexanamide

C32H58N4O19 — CID 164936277

About 6-[2-[(2S)-6-amino-1-oxohexan-2-yl]hydrazinyl]-N-[2-[(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]oxyethyl]-6-oxohexanamide

6-[2-[(2S)-6-amino-1-oxohexan-2-yl]hydrazinyl]-N-[2-[(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]oxyethyl]-6-oxohexanamide (PubChem CID 164936277) has the molecular formula C32H58N4O19 and a molecular weight of 802.82 g/mol. Its IUPAC name is 6-[2-[(2S)-6-amino-1-oxohexan-2-yl]hydrazinyl]-N-[2-[(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]oxyethyl]-6-oxohexanamide.

Molecular Properties

• Compound Name: 6-[2-[(2S)-6-amino-1-oxohexan-2-yl]hydrazinyl]-N-[2-[(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]oxyethyl]-6-oxohexanamide
• PubChem CID: 164936277
• Molecular Formula: C32H58N4O19
• Molecular Weight: 802.82 g/mol
• Exact Mass: 802.37
• IUPAC Name: 6-[2-[(2S)-6-amino-1-oxohexan-2-yl]hydrazinyl]-N-[2-[(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]oxyethyl]-6-oxohexanamide
• SMILES: NCCCC[C@@H](C=O)NNC(=O)CCCCC(=O)NCCO[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/C32H58N4O19/c33-8-4-3-5-15(11-37)35-36-20(41)7-2-1-6-19(40)34-9-10-50-31-28(49)29(55-32-27(48)25(46)22(43)17(13-39)53-32)23(44)18(54-31)14-51-30-26(47)24(45)21(42)16(12-38)52-30/h11,15-18,21-32,35,38-39,42-49H,1-10,12-14,33H2,(H,34,40)(H,36,41)/t15-,16+,17+,18+,21+,22+,23+,24-,25-,26-,27-,28-,29-,30-,31+,32+/m0/s1
• InChIKey: GHSQVHKMFDKVJQ-QZBJVXESSA-N
• XLogP: -7.55
• TPSA: 371.00 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 21
• Rotatable Bonds: 23
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	802.82
LogP ≤ 5	-7.55
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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-[(2S)-6-amino-1-oxohexan-2-yl]hydrazinyl]-N-[2-[(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]oxyethyl]-6-oxohexanamide?

The IUPAC name of 6-[2-[(2S)-6-amino-1-oxohexan-2-yl]hydrazinyl]-N-[2-[(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]oxyethyl]-6-oxohexanamide (CID 164936277) is 6-[2-[(2S)-6-amino-1-oxohexan-2-yl]hydrazinyl]-N-[2-[(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]oxyethyl]-6-oxohexanamide.

What is the SMILES notation for 6-[2-[(2S)-6-amino-1-oxohexan-2-yl]hydrazinyl]-N-[2-[(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]oxyethyl]-6-oxohexanamide?

The canonical SMILES for 6-[2-[(2S)-6-amino-1-oxohexan-2-yl]hydrazinyl]-N-[2-[(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]oxyethyl]-6-oxohexanamide is NCCCC[C@@H](C=O)NNC(=O)CCCCC(=O)NCCO[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-[(2S)-6-amino-1-oxohexan-2-yl]hydrazinyl]-N-[2-[(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]oxyethyl]-6-oxohexanamide?

The InChIKey is GHSQVHKMFDKVJQ-QZBJVXESSA-N. The full InChI is InChI=1S/C32H58N4O19/c33-8-4-3-5-15(11-37)35-36-20(41)7-2-1-6-19(40)34-9-10-50-31-28(49)29(55-32-27(48)25(46)22(43)17(13-39)53-32)23(44)18(54-31)14-51-30-26(47)24(45)21(42)16(12-38)52-30/h11,15-18,21-32,35,38-39,42-49H,1-10,12-14,33H2,(H,34,40)(H,36,41)/t15-,16+,17+,18+,21+,22+,23+,24-,25-,26-,27-,28-,29-,30-,31+,32+/m0/s1.

What are the key properties of 6-[2-[(2S)-6-amino-1-oxohexan-2-yl]hydrazinyl]-N-[2-[(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]oxyethyl]-6-oxohexanamide?

6-[2-[(2S)-6-amino-1-oxohexan-2-yl]hydrazinyl]-N-[2-[(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]oxyethyl]-6-oxohexanamide has a molecular weight of 802.82 g/mol, XLogP of -7.55, 23 rotatable bonds, 14 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2-[(2S)-6-amino-1-oxohexan-2-yl]hydrazinyl]-N-[2-[(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]oxyethyl]-6-oxohexanamide is sourced from PubChem (CID 164936277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).