bis(N-ethyl-6-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl-[2-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyethyl]amino]hexanamide);bis(N-ethyl-6-[2-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl-[3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]propyl]amino]hexanamide)

C98H188N8O46 — CID 158619142

About bis(N-ethyl-6-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl-[2-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyethyl]amino]hexanamide);bis(N-ethyl-6-[2-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl-[3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]propyl]amino]hexanamide)

bis(N-ethyl-6-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl-[2-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyethyl]amino]hexanamide);bis(N-ethyl-6-[2-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl-[3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]propyl]amino]hexanamide) (PubChem CID 158619142) has the molecular formula C98H188N8O46 and a molecular weight of 2214.59 g/mol. Its IUPAC name is bis(N-ethyl-6-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl-[2-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyethyl]amino]hexanamide);bis(N-ethyl-6-[2-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl-[3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]propyl]amino]hexanamide).

Molecular Properties

• Compound Name: bis(N-ethyl-6-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl-[2-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyethyl]amino]hexanamide);bis(N-ethyl-6-[2-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl-[3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]propyl]amino]hexanamide)
• PubChem CID: 158619142
• Molecular Formula: C98H188N8O46
• Molecular Weight: 2214.59 g/mol
• Exact Mass: 2213.26
• IUPAC Name: bis(N-ethyl-6-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl-[2-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyethyl]amino]hexanamide);bis(N-ethyl-6-[2-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl-[3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]propyl]amino]hexanamide)
• SMILES: CCNC(=O)CCCCCN(CCC[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O)CCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O.CCNC(=O)CCCCCN(CCC[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O)CCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O.CCNC(=O)CCCCCN(CCO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)CCO[C@@H]1O[C@@H](C)[C@@H](O)C(O)[C@@H]1O.CCNC(=O)CCCCCN(CCO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)CCO[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O
• InChI: InChI=1S/2C25H48N2O11.2C24H46N2O12/c2*1-3-26-18(29)9-5-4-6-10-27(11-7-8-16-20(31)22(33)19(30)15(2)37-16)12-13-36-25-24(35)23(34)21(32)17(14-28)38-25;2*1-3-25-16(28)7-5-4-6-8-26(9-11-35-23-21(33)19(31)17(29)14(2)37-23)10-12-36-24-22(34)20(32)18(30)15(13-27)38-24/h2*15-17,19-25,28,30-35H,3-14H2,1-2H3,(H,26,29);2*14-15,17-24,27,29-34H,3-13H2,1-2H3,(H,25,28)/t2*15-,16-,17+,19+,20+,21+,22+,23-,24-,25+;14-,15+,17+,18+,19?,20-,21-,22-,23+,24-;14-,15+,17+,18+,19+,20-,21-,22-,23+,24-/m0000/s1
• InChIKey: HXTURVDCOTWEKP-YAFOOVIESA-N
• XLogP: -11.81
• TPSA: 825.02 Ų
• H-Bond Donors: 32
• H-Bond Acceptors: 50
• Rotatable Bonds: 64
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2214.59
LogP ≤ 5	-11.81
H-Bond Donors ≤ 5	32
H-Bond Acceptors ≤ 10	50

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis(N-ethyl-6-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl-[2-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyethyl]amino]hexanamide);bis(N-ethyl-6-[2-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl-[3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]propyl]amino]hexanamide)?

The IUPAC name of bis(N-ethyl-6-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl-[2-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyethyl]amino]hexanamide);bis(N-ethyl-6-[2-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl-[3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]propyl]amino]hexanamide) (CID 158619142) is bis(N-ethyl-6-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl-[2-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyethyl]amino]hexanamide);bis(N-ethyl-6-[2-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl-[3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]propyl]amino]hexanamide).

What is the SMILES notation for bis(N-ethyl-6-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl-[2-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyethyl]amino]hexanamide);bis(N-ethyl-6-[2-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl-[3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]propyl]amino]hexanamide)?

The canonical SMILES for bis(N-ethyl-6-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl-[2-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyethyl]amino]hexanamide);bis(N-ethyl-6-[2-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl-[3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]propyl]amino]hexanamide) is CCNC(=O)CCCCCN(CCC[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O)CCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O.CCNC(=O)CCCCCN(CCC[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O)CCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O.CCNC(=O)CCCCCN(CCO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)CCO[C@@H]1O[C@@H](C)[C@@H](O)C(O)[C@@H]1O.CCNC(=O)CCCCCN(CCO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)CCO[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O.

What is the InChIKey of bis(N-ethyl-6-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl-[2-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyethyl]amino]hexanamide);bis(N-ethyl-6-[2-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl-[3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]propyl]amino]hexanamide)?

The InChIKey is HXTURVDCOTWEKP-YAFOOVIESA-N. The full InChI is InChI=1S/2C25H48N2O11.2C24H46N2O12/c2*1-3-26-18(29)9-5-4-6-10-27(11-7-8-16-20(31)22(33)19(30)15(2)37-16)12-13-36-25-24(35)23(34)21(32)17(14-28)38-25;2*1-3-25-16(28)7-5-4-6-8-26(9-11-35-23-21(33)19(31)17(29)14(2)37-23)10-12-36-24-22(34)20(32)18(30)15(13-27)38-24/h2*15-17,19-25,28,30-35H,3-14H2,1-2H3,(H,26,29);2*14-15,17-24,27,29-34H,3-13H2,1-2H3,(H,25,28)/t2*15-,16-,17+,19+,20+,21+,22+,23-,24-,25+;14-,15+,17+,18+,19?,20-,21-,22-,23+,24-;14-,15+,17+,18+,19+,20-,21-,22-,23+,24-/m0000/s1.

What are the key properties of bis(N-ethyl-6-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl-[2-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyethyl]amino]hexanamide);bis(N-ethyl-6-[2-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl-[3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]propyl]amino]hexanamide)?

bis(N-ethyl-6-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl-[2-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyethyl]amino]hexanamide);bis(N-ethyl-6-[2-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl-[3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]propyl]amino]hexanamide) has a molecular weight of 2214.59 g/mol, XLogP of -11.81, 64 rotatable bonds, 32 hydrogen bond donors, and 50 hydrogen bond acceptors.

Where does this data come from?

All data for bis(N-ethyl-6-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl-[2-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyethyl]amino]hexanamide);bis(N-ethyl-6-[2-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl-[3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]propyl]amino]hexanamide) is sourced from PubChem (CID 158619142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).