N-[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy]-9H-fluorene-9-carboxamide

C23H21N3O7 — CID 88651953

IUPACN-[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy]-9H-fluorene-9-carboxamide
SMILESO=C(NOC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O)C1c2ccccc2-c2ccccc21
InChIInChI=1S/C23H21N3O7/c27-17-9-10-26(23(31)24-17)22-20(29)19(28)16(33-22)11-32-25-21(30)18-14-7-3-1-5-12(14)13-6-2-4-8-15(13)18/h1-10,16,18-20,22,28-29H,11H2,(H,25,30)(H,24,27,31)/t16-,19-,20-,22-/m1/s1
InChIKeyNVBTXJIEZLLDMM-KREFBHGWSA-N
MW451.44 g/mol
LogP0.02
Rot. Bonds5

About N-[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy]-9H-fluorene-9-carboxamide

N-[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy]-9H-fluorene-9-carboxamide (PubChem CID 88651953) has the molecular formula C23H21N3O7 and a molecular weight of 451.44 g/mol. Its IUPAC name is N-[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy]-9H-fluorene-9-carboxamide.

Molecular Properties

Compound NameN-[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy]-9H-fluorene-9-carboxamide
PubChem CID88651953
Molecular FormulaC23H21N3O7
Molecular Weight451.44 g/mol
Exact Mass451.14
IUPAC NameN-[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy]-9H-fluorene-9-carboxamide
SMILESO=C(NOC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O)C1c2ccccc2-c2ccccc21
InChIInChI=1S/C23H21N3O7/c27-17-9-10-26(23(31)24-17)22-20(29)19(28)16(33-22)11-32-25-21(30)18-14-7-3-1-5-12(14)13-6-2-4-8-15(13)18/h1-10,16,18-20,22,28-29H,11H2,(H,25,30)(H,24,27,31)/t16-,19-,20-,22-/m1/s1
InChIKeyNVBTXJIEZLLDMM-KREFBHGWSA-N
XLogP0.02
TPSA142.88 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.44
LogP ≤ 50.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[(2R,3R,4S,5R)-5-[(benzylamino)oxymethyl]-3,4-dihydroxyoxolan-2-yl]pyrimidine-2,4-dione
CID 54170730
[(2S,3R,4R,5S)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl carbamate
CID 124680568
[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl 2-bromoacetate
CID 3082267
1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(methoxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 68666642
1-[(2S,5S)-3,4-dihydroxy-5-(methoxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 57303965
[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl 2,2-dimethylpropanoate
CID 677806
[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl 2-acetyloxybenzoate
CID 170193353
1-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(trityloxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 12718291
1-[(2S,3R,4S,5S)-3,4-dihydroxy-5-(trityloxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 163284979
[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl 2-methylprop-2-enoate
CID 101006549
[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl ethenyl carbonate
CID 10591323
[(2R,3R,5R)-5-(2,4-dioxo(2,4,5,6-13C4)pyrimidin-1-yl)-3,4-dihydroxy(2,3,4,5-13C4)oxolan-2-yl](113C)methyl dihydrogen phosphate
CID 169494018

Frequently Asked Questions

What is the IUPAC name of N-[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy]-9H-fluorene-9-carboxamide?
The IUPAC name of N-[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy]-9H-fluorene-9-carboxamide (CID 88651953) is N-[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy]-9H-fluorene-9-carboxamide.
What is the SMILES notation for N-[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy]-9H-fluorene-9-carboxamide?
The canonical SMILES for N-[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy]-9H-fluorene-9-carboxamide is O=C(NOC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O)C1c2ccccc2-c2ccccc21.
What is the InChIKey of N-[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy]-9H-fluorene-9-carboxamide?
The InChIKey is NVBTXJIEZLLDMM-KREFBHGWSA-N. The full InChI is InChI=1S/C23H21N3O7/c27-17-9-10-26(23(31)24-17)22-20(29)19(28)16(33-22)11-32-25-21(30)18-14-7-3-1-5-12(14)13-6-2-4-8-15(13)18/h1-10,16,18-20,22,28-29H,11H2,(H,25,30)(H,24,27,31)/t16-,19-,20-,22-/m1/s1.
What are the key properties of N-[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy]-9H-fluorene-9-carboxamide?
N-[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy]-9H-fluorene-9-carboxamide has a molecular weight of 451.44 g/mol, XLogP of 0.02, 5 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy]-9H-fluorene-9-carboxamide is sourced from PubChem (CID 88651953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).