9H-fluoren-9-ylmethyl N-[9-[(2R,5R)-5-(deuteriomethyl)-4-hydroxyoxolan-2-yl]-6-oxo-1H-purin-2-yl]carbamate

C25H23N5O5 — CID 162087758

IUPAC9H-fluoren-9-ylmethyl N-[9-[(2R,5R)-5-(deuteriomethyl)-4-hydroxyoxolan-2-yl]-6-oxo-1H-purin-2-yl]carbamate
SMILES[2H]C[C@H]1O[C@@H](n2cnc3c(=O)[nH]c(NC(=O)OCC4c5ccccc5-c5ccccc54)nc32)CC1O
InChIInChI=1S/C25H23N5O5/c1-13-19(31)10-20(35-13)30-12-26-21-22(30)27-24(28-23(21)32)29-25(33)34-11-18-16-8-4-2-6-14(16)15-7-3-5-9-17(15)18/h2-9,12-13,18-20,31H,10-11H2,1H3,(H2,27,28,29,32,33)/t13-,19?,20-/m1/s1/i1D
InChIKeyRHGUDDMPXKDKIH-FKIDGGKCSA-N
MW474.50 g/mol
LogP3.15
Rot. Bonds5

About 9H-fluoren-9-ylmethyl N-[9-[(2R,5R)-5-(deuteriomethyl)-4-hydroxyoxolan-2-yl]-6-oxo-1H-purin-2-yl]carbamate

9H-fluoren-9-ylmethyl N-[9-[(2R,5R)-5-(deuteriomethyl)-4-hydroxyoxolan-2-yl]-6-oxo-1H-purin-2-yl]carbamate (PubChem CID 162087758) has the molecular formula C25H23N5O5 and a molecular weight of 474.50 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[9-[(2R,5R)-5-(deuteriomethyl)-4-hydroxyoxolan-2-yl]-6-oxo-1H-purin-2-yl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[9-[(2R,5R)-5-(deuteriomethyl)-4-hydroxyoxolan-2-yl]-6-oxo-1H-purin-2-yl]carbamate
PubChem CID162087758
Molecular FormulaC25H23N5O5
Molecular Weight474.50 g/mol
Exact Mass474.18
IUPAC Name9H-fluoren-9-ylmethyl N-[9-[(2R,5R)-5-(deuteriomethyl)-4-hydroxyoxolan-2-yl]-6-oxo-1H-purin-2-yl]carbamate
SMILES[2H]C[C@H]1O[C@@H](n2cnc3c(=O)[nH]c(NC(=O)OCC4c5ccccc5-c5ccccc54)nc32)CC1O
InChIInChI=1S/C25H23N5O5/c1-13-19(31)10-20(35-13)30-12-26-21-22(30)27-24(28-23(21)32)29-25(33)34-11-18-16-8-4-2-6-14(16)15-7-3-5-9-17(15)18/h2-9,12-13,18-20,31H,10-11H2,1H3,(H2,27,28,29,32,33)/t13-,19?,20-/m1/s1/i1D
InChIKeyRHGUDDMPXKDKIH-FKIDGGKCSA-N
XLogP3.15
TPSA131.36 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.50
LogP ≤ 53.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 9H-fluoren-9-ylmethyl N-[9-[(2R,5R)-5-(deuteriomethyl)-4-hydroxyoxolan-2-yl]-6-oxo-1H-purin-2-yl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9H-fluoren-9-ylmethyl N-[9-[(2R,5R)-5-(deuteriomethyl)-4-hydroxyoxolan-2-yl]purin-6-yl]carbamate
CID 87103623
N-[9-[(4S)-5-(deuteriomethyl)-4-hydroxyoxolan-2-yl]-6-oxo-1H-purin-2-yl]-2-methylpropanamide
CID 140564436
9H-fluoren-9-ylmethyl N-[4-[[9-[(2R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]-6-oxo-1H-purin-2-yl]amino]-4-oxobutyl]-N-methylcarbamate
CID 136608996
9H-fluoren-9-ylmethyl N-(9-methyl-6-oxo-1H-purin-2-yl)carbamate;9H-fluoren-9-ylmethyl N-(1-methyl-2-oxopyrimidin-4-yl)carbamate;9H-fluoren-9-ylmethyl N-(9-methylpurin-6-yl)carbamate;methane
CID 157137710
9H-fluoren-9-ylmethyl N-(6-oxo-9-propan-2-yl-1H-purin-2-yl)carbamate;9H-fluoren-9-ylmethyl N-(2-oxo-1-propan-2-ylpyrimidin-4-yl)carbamate;9H-fluoren-9-ylmethyl N-(9-propan-2-ylpurin-6-yl)carbamate
CID 161456477
[(2R,3R)-2-(deuteriomethyl)-5-[2-(2-methylpropanoylamino)-6-oxo-1H-purin-9-yl]oxolan-3-yl] benzoate;[(2R,3S)-2-(deuteriomethyl)-5-[2-(2-methylpropanoylamino)-6-oxo-1H-purin-9-yl]oxolan-3-yl] methanesulfonate;bis(tritiooxymethane)
CID 159407135
N-[9-[(2R,4S,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-oxo-1H-purin-2-yl]-2-methylpropanamide
CID 135708392
N-[9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-oxo-1H-purin-2-yl]cyclohexanecarboxamide
CID 139660972
[(2R,3S,5S)-5-(2-acetamido-6-oxo-1H-purin-9-yl)-3-acetyloxyoxolan-2-yl]methyl acetate
CID 136756446
N-[9-[(2R,4S,5S)-4-hydroxy-5-(iodomethyl)oxolan-2-yl]-6-oxo-1H-purin-2-yl]-2-methylpropanamide
CID 136675416
[(2R,3S,5S)-3-hydroxy-5-[2-(2-methylpropanoylamino)-6-oxo-1H-purin-9-yl]oxolan-2-yl]methyl 4-oxopentanoate
CID 135401504
9H-fluoren-9-ylmethyl N-[1-[(2R,4R,5R)-5-(deuteriomethyl)-4-[[di(propan-2-yl)amino]-methoxyphosphanyl]oxyoxolan-2-yl]-2-oxopyrimidin-4-yl]carbamate;9H-fluoren-9-ylmethyl N-[9-[(2R,4R,5R)-5-(deuteriomethyl)-4-[[di(propan-2-yl)amino]-methoxyphosphanyl]oxyoxolan-2-yl]purin-6-yl]carbamate;bis(tritiooxymethane)
CID 159261073

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[9-[(2R,5R)-5-(deuteriomethyl)-4-hydroxyoxolan-2-yl]-6-oxo-1H-purin-2-yl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[9-[(2R,5R)-5-(deuteriomethyl)-4-hydroxyoxolan-2-yl]-6-oxo-1H-purin-2-yl]carbamate (CID 162087758) is 9H-fluoren-9-ylmethyl N-[9-[(2R,5R)-5-(deuteriomethyl)-4-hydroxyoxolan-2-yl]-6-oxo-1H-purin-2-yl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[9-[(2R,5R)-5-(deuteriomethyl)-4-hydroxyoxolan-2-yl]-6-oxo-1H-purin-2-yl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[9-[(2R,5R)-5-(deuteriomethyl)-4-hydroxyoxolan-2-yl]-6-oxo-1H-purin-2-yl]carbamate is [2H]C[C@H]1O[C@@H](n2cnc3c(=O)[nH]c(NC(=O)OCC4c5ccccc5-c5ccccc54)nc32)CC1O.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[9-[(2R,5R)-5-(deuteriomethyl)-4-hydroxyoxolan-2-yl]-6-oxo-1H-purin-2-yl]carbamate?
The InChIKey is RHGUDDMPXKDKIH-FKIDGGKCSA-N. The full InChI is InChI=1S/C25H23N5O5/c1-13-19(31)10-20(35-13)30-12-26-21-22(30)27-24(28-23(21)32)29-25(33)34-11-18-16-8-4-2-6-14(16)15-7-3-5-9-17(15)18/h2-9,12-13,18-20,31H,10-11H2,1H3,(H2,27,28,29,32,33)/t13-,19?,20-/m1/s1/i1D.
What are the key properties of 9H-fluoren-9-ylmethyl N-[9-[(2R,5R)-5-(deuteriomethyl)-4-hydroxyoxolan-2-yl]-6-oxo-1H-purin-2-yl]carbamate?
9H-fluoren-9-ylmethyl N-[9-[(2R,5R)-5-(deuteriomethyl)-4-hydroxyoxolan-2-yl]-6-oxo-1H-purin-2-yl]carbamate has a molecular weight of 474.50 g/mol, XLogP of 3.15, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-[9-[(2R,5R)-5-(deuteriomethyl)-4-hydroxyoxolan-2-yl]-6-oxo-1H-purin-2-yl]carbamate is sourced from PubChem (CID 162087758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).