9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)propyl]carbamate

C28H27NO5 — CID 170834918

About 9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)propyl]carbamate

9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)propyl]carbamate (PubChem CID 170834918) has the molecular formula C28H27NO5 and a molecular weight of 457.53 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)propyl]carbamate.

Molecular Properties

• Compound Name: 9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)propyl]carbamate
• PubChem CID: 170834918
• Molecular Formula: C28H27NO5
• Molecular Weight: 457.53 g/mol
• Exact Mass: 457.19
• IUPAC Name: 9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)propyl]carbamate
• SMILES: O=C1CCc2cc(C(O)C(O)CNC(=O)OCC3c4ccccc4-c4ccccc43)ccc2C1
• InChI: InChI=1S/C28H27NO5/c30-20-12-11-17-13-19(10-9-18(17)14-20)27(32)26(31)15-29-28(33)34-16-25-23-7-3-1-5-21(23)22-6-2-4-8-24(22)25/h1-10,13,25-27,31-32H,11-12,14-16H2,(H,29,33)
• InChIKey: WXOVQQASPVPZKZ-UHFFFAOYSA-N
• XLogP: 3.68
• TPSA: 95.86 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	457.53
LogP ≤ 5	3.68
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)propyl]carbamate?

The IUPAC name of 9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)propyl]carbamate (CID 170834918) is 9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)propyl]carbamate.

What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)propyl]carbamate?

The canonical SMILES for 9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)propyl]carbamate is O=C1CCc2cc(C(O)C(O)CNC(=O)OCC3c4ccccc4-c4ccccc43)ccc2C1.

What is the InChIKey of 9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)propyl]carbamate?

The InChIKey is WXOVQQASPVPZKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27NO5/c30-20-12-11-17-13-19(10-9-18(17)14-20)27(32)26(31)15-29-28(33)34-16-25-23-7-3-1-5-21(23)22-6-2-4-8-24(22)25/h1-10,13,25-27,31-32H,11-12,14-16H2,(H,29,33).

What are the key properties of 9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)propyl]carbamate?

9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)propyl]carbamate has a molecular weight of 457.53 g/mol, XLogP of 3.68, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)propyl]carbamate is sourced from PubChem (CID 170834918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).