9H-fluoren-9-ylmethyl N-[[(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl]carbamate

C24H23N3O6 — CID 18633287

IUPAC9H-fluoren-9-ylmethyl N-[[(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl]carbamate
SMILESO=C(NC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)C[C@@H]1O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C24H23N3O6/c28-19-11-22(27-10-9-21(29)26-23(27)30)33-20(19)12-25-24(31)32-13-18-16-7-3-1-5-14(16)15-6-2-4-8-17(15)18/h1-10,18-20,22,28H,11-13H2,(H,25,31)(H,26,29,30)/t19-,20+,22+/m0/s1
InChIKeyUJULTNNEQFFGJS-TUNNFDKTSA-N
MW449.46 g/mol
LogP1.72
Rot. Bonds5

About 9H-fluoren-9-ylmethyl N-[[(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl]carbamate

9H-fluoren-9-ylmethyl N-[[(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl]carbamate (PubChem CID 18633287) has the molecular formula C24H23N3O6 and a molecular weight of 449.46 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[[(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[[(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl]carbamate
PubChem CID18633287
Molecular FormulaC24H23N3O6
Molecular Weight449.46 g/mol
Exact Mass449.16
IUPAC Name9H-fluoren-9-ylmethyl N-[[(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl]carbamate
SMILESO=C(NC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)C[C@@H]1O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C24H23N3O6/c28-19-11-22(27-10-9-21(29)26-23(27)30)33-20(19)12-25-24(31)32-13-18-16-7-3-1-5-14(16)15-6-2-4-8-17(15)18/h1-10,18-20,22,28H,11-13H2,(H,25,31)(H,26,29,30)/t19-,20+,22+/m0/s1
InChIKeyUJULTNNEQFFGJS-TUNNFDKTSA-N
XLogP1.72
TPSA122.65 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.46
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl]acetamide
CID 15956670
[5-(2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl benzoate
CID 14260321
1-[(2R,4S,5R)-5-[(benzylamino)methyl]-4-hydroxyoxolan-2-yl]pyrimidine-2,4-dione
CID 11709476
N-[[(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl]formamide
CID 14842983
1-[(2R,4S,5R)-4-hydroxy-5-(sulfanyloxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 18396706
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)(4,5-13C2)oxolan-2-yl]pyrimidine-2,4-dione
CID 11183813
1-[(2R,4S,5R)-5-(3-aminopropoxymethyl)-4-hydroxyoxolan-2-yl]pyrimidine-2,4-dione
CID 20700893
N-[[(2R,3S,5R)-3-amino-5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]benzamide
CID 10735166
1-[(2R,4S,5R)-5-ethyl-4-hydroxyoxolan-2-yl]pyrimidine-2,4-dione
CID 14562102
[(2R,3R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-fluorooxolan-2-yl]methyl benzoate
CID 96884537
1-[(2R,4S,5R)-5-(ethoxymethyl)-4-hydroxyoxolan-2-yl]pyrimidine-2,4-dione
CID 22837617
[(2R,3R,5R)-3-benzoyloxy-5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl benzoate
CID 14412037

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[[(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[[(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl]carbamate (CID 18633287) is 9H-fluoren-9-ylmethyl N-[[(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[[(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[[(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl]carbamate is O=C(NC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)C[C@@H]1O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[[(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl]carbamate?
The InChIKey is UJULTNNEQFFGJS-TUNNFDKTSA-N. The full InChI is InChI=1S/C24H23N3O6/c28-19-11-22(27-10-9-21(29)26-23(27)30)33-20(19)12-25-24(31)32-13-18-16-7-3-1-5-14(16)15-6-2-4-8-17(15)18/h1-10,18-20,22,28H,11-13H2,(H,25,31)(H,26,29,30)/t19-,20+,22+/m0/s1.
What are the key properties of 9H-fluoren-9-ylmethyl N-[[(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl]carbamate?
9H-fluoren-9-ylmethyl N-[[(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl]carbamate has a molecular weight of 449.46 g/mol, XLogP of 1.72, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-[[(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl]carbamate is sourced from PubChem (CID 18633287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).