9H-fluoren-9-ylmethyl N-[2-[5-[(2R)-2-[(3S,6S,9S,11R,15S,18S,20R,24S,25S,26S)-18-amino-3-[(1R)-3-amino-1-hydroxy-3-oxopropyl]-11,20,25-trihydroxy-15-[(1R)-1-hydroxyethyl]-26-methyl-2,5,8,14,17,23-hexaoxo-1,4,7,13,16,22-hexazatricyclo[22.3.0.09,13]heptacosan-6-yl]-2-hydroxyethyl]-2-hydroxyphenoxy]ethyl]carbamate

C52H67N9O17 — CID 59524822

About 9H-fluoren-9-ylmethyl N-[2-[5-[(2R)-2-[(3S,6S,9S,11R,15S,18S,20R,24S,25S,26S)-18-amino-3-[(1R)-3-amino-1-hydroxy-3-oxopropyl]-11,20,25-trihydroxy-15-[(1R)-1-hydroxyethyl]-26-methyl-2,5,8,14,17,23-hexaoxo-1,4,7,13,16,22-hexazatricyclo[22.3.0.09,13]heptacosan-6-yl]-2-hydroxyethyl]-2-hydroxyphenoxy]ethyl]carbamate

9H-fluoren-9-ylmethyl N-[2-[5-[(2R)-2-[(3S,6S,9S,11R,15S,18S,20R,24S,25S,26S)-18-amino-3-[(1R)-3-amino-1-hydroxy-3-oxopropyl]-11,20,25-trihydroxy-15-[(1R)-1-hydroxyethyl]-26-methyl-2,5,8,14,17,23-hexaoxo-1,4,7,13,16,22-hexazatricyclo[22.3.0.09,13]heptacosan-6-yl]-2-hydroxyethyl]-2-hydroxyphenoxy]ethyl]carbamate (PubChem CID 59524822) has the molecular formula C52H67N9O17 and a molecular weight of 1090.15 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[2-[5-[(2R)-2-[(3S,6S,9S,11R,15S,18S,20R,24S,25S,26S)-18-amino-3-[(1R)-3-amino-1-hydroxy-3-oxopropyl]-11,20,25-trihydroxy-15-[(1R)-1-hydroxyethyl]-26-methyl-2,5,8,14,17,23-hexaoxo-1,4,7,13,16,22-hexazatricyclo[22.3.0.09,13]heptacosan-6-yl]-2-hydroxyethyl]-2-hydroxyphenoxy]ethyl]carbamate.

Molecular Properties

• Compound Name: 9H-fluoren-9-ylmethyl N-[2-[5-[(2R)-2-[(3S,6S,9S,11R,15S,18S,20R,24S,25S,26S)-18-amino-3-[(1R)-3-amino-1-hydroxy-3-oxopropyl]-11,20,25-trihydroxy-15-[(1R)-1-hydroxyethyl]-26-methyl-2,5,8,14,17,23-hexaoxo-1,4,7,13,16,22-hexazatricyclo[22.3.0.09,13]heptacosan-6-yl]-2-hydroxyethyl]-2-hydroxyphenoxy]ethyl]carbamate
• PubChem CID: 59524822
• Molecular Formula: C52H67N9O17
• Molecular Weight: 1090.15 g/mol
• Exact Mass: 1089.47
• IUPAC Name: 9H-fluoren-9-ylmethyl N-[2-[5-[(2R)-2-[(3S,6S,9S,11R,15S,18S,20R,24S,25S,26S)-18-amino-3-[(1R)-3-amino-1-hydroxy-3-oxopropyl]-11,20,25-trihydroxy-15-[(1R)-1-hydroxyethyl]-26-methyl-2,5,8,14,17,23-hexaoxo-1,4,7,13,16,22-hexazatricyclo[22.3.0.09,13]heptacosan-6-yl]-2-hydroxyethyl]-2-hydroxyphenoxy]ethyl]carbamate
• SMILES: C[C@@H](O)[C@@H]1NC(=O)[C@@H](N)C[C@@H](O)CNC(=O)[C@@H]2[C@@H](O)[C@@H](C)CN2C(=O)[C@H]([C@H](O)CC(N)=O)NC(=O)[C@H]([C@H](O)Cc2ccc(O)c(OCCNC(=O)OCC3c4ccccc4-c4ccccc43)c2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O
• InChI: InChI=1S/C52H67N9O17/c1-24-21-61-44(45(24)69)49(73)56-20-27(63)17-34(53)46(70)57-41(25(2)62)50(74)60-22-28(64)18-35(60)47(71)58-42(48(72)59-43(51(61)75)38(67)19-40(54)68)37(66)15-26-11-12-36(65)39(16-26)77-14-13-55-52(76)78-23-33-31-9-5-3-7-29(31)30-8-4-6-10-32(30)33/h3-12,16,24-25,27-28,33-35,37-38,41-45,62-67,69H,13-15,17-23,53H2,1-2H3,(H2,54,68)(H,55,76)(H,56,73)(H,57,70)(H,58,71)(H,59,72)/t24-,25+,27+,28+,34-,35-,37+,38+,41-,42-,43-,44-,45-/m0/s1
• InChIKey: RBLVGCBTMJEHFK-OQZFFGBMSA-N
• XLogP: -4.34
• TPSA: 415.30 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 18
• Rotatable Bonds: 13
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1090.15
LogP ≤ 5	-4.34
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	18

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-[5-[(2R)-2-[(3S,6S,9S,11R,15S,18S,20R,24S,25S,26S)-18-amino-3-[(1R)-3-amino-1-hydroxy-3-oxopropyl]-11,20,25-trihydroxy-15-[(1R)-1-hydroxyethyl]-26-methyl-2,5,8,14,17,23-hexaoxo-1,4,7,13,16,22-hexazatricyclo[22.3.0.09,13]heptacosan-6-yl]-2-hydroxyethyl]-2-hydroxyphenoxy]ethyl]carbamate?

The IUPAC name of 9H-fluoren-9-ylmethyl N-[2-[5-[(2R)-2-[(3S,6S,9S,11R,15S,18S,20R,24S,25S,26S)-18-amino-3-[(1R)-3-amino-1-hydroxy-3-oxopropyl]-11,20,25-trihydroxy-15-[(1R)-1-hydroxyethyl]-26-methyl-2,5,8,14,17,23-hexaoxo-1,4,7,13,16,22-hexazatricyclo[22.3.0.09,13]heptacosan-6-yl]-2-hydroxyethyl]-2-hydroxyphenoxy]ethyl]carbamate (CID 59524822) is 9H-fluoren-9-ylmethyl N-[2-[5-[(2R)-2-[(3S,6S,9S,11R,15S,18S,20R,24S,25S,26S)-18-amino-3-[(1R)-3-amino-1-hydroxy-3-oxopropyl]-11,20,25-trihydroxy-15-[(1R)-1-hydroxyethyl]-26-methyl-2,5,8,14,17,23-hexaoxo-1,4,7,13,16,22-hexazatricyclo[22.3.0.09,13]heptacosan-6-yl]-2-hydroxyethyl]-2-hydroxyphenoxy]ethyl]carbamate.

What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[2-[5-[(2R)-2-[(3S,6S,9S,11R,15S,18S,20R,24S,25S,26S)-18-amino-3-[(1R)-3-amino-1-hydroxy-3-oxopropyl]-11,20,25-trihydroxy-15-[(1R)-1-hydroxyethyl]-26-methyl-2,5,8,14,17,23-hexaoxo-1,4,7,13,16,22-hexazatricyclo[22.3.0.09,13]heptacosan-6-yl]-2-hydroxyethyl]-2-hydroxyphenoxy]ethyl]carbamate?

The canonical SMILES for 9H-fluoren-9-ylmethyl N-[2-[5-[(2R)-2-[(3S,6S,9S,11R,15S,18S,20R,24S,25S,26S)-18-amino-3-[(1R)-3-amino-1-hydroxy-3-oxopropyl]-11,20,25-trihydroxy-15-[(1R)-1-hydroxyethyl]-26-methyl-2,5,8,14,17,23-hexaoxo-1,4,7,13,16,22-hexazatricyclo[22.3.0.09,13]heptacosan-6-yl]-2-hydroxyethyl]-2-hydroxyphenoxy]ethyl]carbamate is C[C@@H](O)[C@@H]1NC(=O)[C@@H](N)C[C@@H](O)CNC(=O)[C@@H]2[C@@H](O)[C@@H](C)CN2C(=O)[C@H]([C@H](O)CC(N)=O)NC(=O)[C@H]([C@H](O)Cc2ccc(O)c(OCCNC(=O)OCC3c4ccccc4-c4ccccc43)c2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O.

What is the InChIKey of 9H-fluoren-9-ylmethyl N-[2-[5-[(2R)-2-[(3S,6S,9S,11R,15S,18S,20R,24S,25S,26S)-18-amino-3-[(1R)-3-amino-1-hydroxy-3-oxopropyl]-11,20,25-trihydroxy-15-[(1R)-1-hydroxyethyl]-26-methyl-2,5,8,14,17,23-hexaoxo-1,4,7,13,16,22-hexazatricyclo[22.3.0.09,13]heptacosan-6-yl]-2-hydroxyethyl]-2-hydroxyphenoxy]ethyl]carbamate?

The InChIKey is RBLVGCBTMJEHFK-OQZFFGBMSA-N. The full InChI is InChI=1S/C52H67N9O17/c1-24-21-61-44(45(24)69)49(73)56-20-27(63)17-34(53)46(70)57-41(25(2)62)50(74)60-22-28(64)18-35(60)47(71)58-42(48(72)59-43(51(61)75)38(67)19-40(54)68)37(66)15-26-11-12-36(65)39(16-26)77-14-13-55-52(76)78-23-33-31-9-5-3-7-29(31)30-8-4-6-10-32(30)33/h3-12,16,24-25,27-28,33-35,37-38,41-45,62-67,69H,13-15,17-23,53H2,1-2H3,(H2,54,68)(H,55,76)(H,56,73)(H,57,70)(H,58,71)(H,59,72)/t24-,25+,27+,28+,34-,35-,37+,38+,41-,42-,43-,44-,45-/m0/s1.

What are the key properties of 9H-fluoren-9-ylmethyl N-[2-[5-[(2R)-2-[(3S,6S,9S,11R,15S,18S,20R,24S,25S,26S)-18-amino-3-[(1R)-3-amino-1-hydroxy-3-oxopropyl]-11,20,25-trihydroxy-15-[(1R)-1-hydroxyethyl]-26-methyl-2,5,8,14,17,23-hexaoxo-1,4,7,13,16,22-hexazatricyclo[22.3.0.09,13]heptacosan-6-yl]-2-hydroxyethyl]-2-hydroxyphenoxy]ethyl]carbamate?

9H-fluoren-9-ylmethyl N-[2-[5-[(2R)-2-[(3S,6S,9S,11R,15S,18S,20R,24S,25S,26S)-18-amino-3-[(1R)-3-amino-1-hydroxy-3-oxopropyl]-11,20,25-trihydroxy-15-[(1R)-1-hydroxyethyl]-26-methyl-2,5,8,14,17,23-hexaoxo-1,4,7,13,16,22-hexazatricyclo[22.3.0.09,13]heptacosan-6-yl]-2-hydroxyethyl]-2-hydroxyphenoxy]ethyl]carbamate has a molecular weight of 1090.15 g/mol, XLogP of -4.34, 13 rotatable bonds, 14 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 9H-fluoren-9-ylmethyl N-[2-[5-[(2R)-2-[(3S,6S,9S,11R,15S,18S,20R,24S,25S,26S)-18-amino-3-[(1R)-3-amino-1-hydroxy-3-oxopropyl]-11,20,25-trihydroxy-15-[(1R)-1-hydroxyethyl]-26-methyl-2,5,8,14,17,23-hexaoxo-1,4,7,13,16,22-hexazatricyclo[22.3.0.09,13]heptacosan-6-yl]-2-hydroxyethyl]-2-hydroxyphenoxy]ethyl]carbamate is sourced from PubChem (CID 59524822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).