9H-fluoren-9-ylmethyl N-[2-oxo-2-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethylamino]ethyl]-N-[2-oxo-2-[2-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyethylamino]ethyl]carbamate

C35H47N3O15 — CID 164830264

About 9H-fluoren-9-ylmethyl N-[2-oxo-2-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethylamino]ethyl]-N-[2-oxo-2-[2-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyethylamino]ethyl]carbamate

9H-fluoren-9-ylmethyl N-[2-oxo-2-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethylamino]ethyl]-N-[2-oxo-2-[2-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyethylamino]ethyl]carbamate (PubChem CID 164830264) has the molecular formula C35H47N3O15 and a molecular weight of 749.77 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[2-oxo-2-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethylamino]ethyl]-N-[2-oxo-2-[2-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyethylamino]ethyl]carbamate.

Molecular Properties

• Compound Name: 9H-fluoren-9-ylmethyl N-[2-oxo-2-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethylamino]ethyl]-N-[2-oxo-2-[2-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyethylamino]ethyl]carbamate
• PubChem CID: 164830264
• Molecular Formula: C35H47N3O15
• Molecular Weight: 749.77 g/mol
• Exact Mass: 749.30
• IUPAC Name: 9H-fluoren-9-ylmethyl N-[2-oxo-2-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethylamino]ethyl]-N-[2-oxo-2-[2-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyethylamino]ethyl]carbamate
• SMILES: C[C@@H]1O[C@@H](OCCNC(=O)CN(CC(=O)NCCO[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)C(=O)OCC2c3ccccc3-c3ccccc32)[C@@H](O)[C@H](O)[C@@H]1O
• InChI: InChI=1S/C35H47N3O15/c1-18-27(42)29(44)31(46)33(52-18)49-12-10-36-25(40)14-38(15-26(41)37-11-13-50-34-32(47)30(45)28(43)24(16-39)53-34)35(48)51-17-23-21-8-4-2-6-19(21)20-7-3-5-9-22(20)23/h2-9,18,23-24,27-34,39,42-47H,10-17H2,1H3,(H,36,40)(H,37,41)/t18-,24+,27+,28+,29+,30-,31-,32-,33+,34-/m0/s1
• InChIKey: VVTUKOWBUDCHBQ-UDWGNEMMSA-N
• XLogP: -2.87
• TPSA: 266.27 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 15
• Rotatable Bonds: 15
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	749.77
LogP ≤ 5	-2.87
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[2-oxo-2-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethylamino]ethyl]-N-[2-oxo-2-[2-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyethylamino]ethyl]carbamate?

The IUPAC name of 9H-fluoren-9-ylmethyl N-[2-oxo-2-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethylamino]ethyl]-N-[2-oxo-2-[2-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyethylamino]ethyl]carbamate (CID 164830264) is 9H-fluoren-9-ylmethyl N-[2-oxo-2-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethylamino]ethyl]-N-[2-oxo-2-[2-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyethylamino]ethyl]carbamate.

What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[2-oxo-2-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethylamino]ethyl]-N-[2-oxo-2-[2-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyethylamino]ethyl]carbamate?

The canonical SMILES for 9H-fluoren-9-ylmethyl N-[2-oxo-2-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethylamino]ethyl]-N-[2-oxo-2-[2-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyethylamino]ethyl]carbamate is C[C@@H]1O[C@@H](OCCNC(=O)CN(CC(=O)NCCO[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)C(=O)OCC2c3ccccc3-c3ccccc32)[C@@H](O)[C@H](O)[C@@H]1O.

What is the InChIKey of 9H-fluoren-9-ylmethyl N-[2-oxo-2-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethylamino]ethyl]-N-[2-oxo-2-[2-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyethylamino]ethyl]carbamate?

The InChIKey is VVTUKOWBUDCHBQ-UDWGNEMMSA-N. The full InChI is InChI=1S/C35H47N3O15/c1-18-27(42)29(44)31(46)33(52-18)49-12-10-36-25(40)14-38(15-26(41)37-11-13-50-34-32(47)30(45)28(43)24(16-39)53-34)35(48)51-17-23-21-8-4-2-6-19(21)20-7-3-5-9-22(20)23/h2-9,18,23-24,27-34,39,42-47H,10-17H2,1H3,(H,36,40)(H,37,41)/t18-,24+,27+,28+,29+,30-,31-,32-,33+,34-/m0/s1.

What are the key properties of 9H-fluoren-9-ylmethyl N-[2-oxo-2-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethylamino]ethyl]-N-[2-oxo-2-[2-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyethylamino]ethyl]carbamate?

9H-fluoren-9-ylmethyl N-[2-oxo-2-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethylamino]ethyl]-N-[2-oxo-2-[2-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyethylamino]ethyl]carbamate has a molecular weight of 749.77 g/mol, XLogP of -2.87, 15 rotatable bonds, 9 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 9H-fluoren-9-ylmethyl N-[2-oxo-2-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethylamino]ethyl]-N-[2-oxo-2-[2-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyethylamino]ethyl]carbamate is sourced from PubChem (CID 164830264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).