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

C25H23N5O4 — CID 87103623

IUPAC9H-fluoren-9-ylmethyl N-[9-[(2R,5R)-5-(deuteriomethyl)-4-hydroxyoxolan-2-yl]purin-6-yl]carbamate
SMILES[2H]C[C@H]1O[C@@H](n2cnc3c(NC(=O)OCC4c5ccccc5-c5ccccc54)ncnc32)CC1O
InChIInChI=1S/C25H23N5O4/c1-14-20(31)10-21(34-14)30-13-28-22-23(26-12-27-24(22)30)29-25(32)33-11-19-17-8-4-2-6-15(17)16-7-3-5-9-18(16)19/h2-9,12-14,19-21,31H,10-11H2,1H3,(H,26,27,29,32)/t14-,20?,21-/m1/s1/i1D
InChIKeyZKUZVQPUGPMUFD-RQJFLDLYSA-N
MW458.50 g/mol
LogP3.86
Rot. Bonds5

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

9H-fluoren-9-ylmethyl N-[9-[(2R,5R)-5-(deuteriomethyl)-4-hydroxyoxolan-2-yl]purin-6-yl]carbamate (PubChem CID 87103623) has the molecular formula C25H23N5O4 and a molecular weight of 458.50 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[9-[(2R,5R)-5-(deuteriomethyl)-4-hydroxyoxolan-2-yl]purin-6-yl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[9-[(2R,5R)-5-(deuteriomethyl)-4-hydroxyoxolan-2-yl]purin-6-yl]carbamate
PubChem CID87103623
Molecular FormulaC25H23N5O4
Molecular Weight458.50 g/mol
Exact Mass458.18
IUPAC Name9H-fluoren-9-ylmethyl N-[9-[(2R,5R)-5-(deuteriomethyl)-4-hydroxyoxolan-2-yl]purin-6-yl]carbamate
SMILES[2H]C[C@H]1O[C@@H](n2cnc3c(NC(=O)OCC4c5ccccc5-c5ccccc54)ncnc32)CC1O
InChIInChI=1S/C25H23N5O4/c1-14-20(31)10-21(34-14)30-13-28-22-23(26-12-27-24(22)30)29-25(32)33-11-19-17-8-4-2-6-15(17)16-7-3-5-9-18(16)19/h2-9,12-14,19-21,31H,10-11H2,1H3,(H,26,27,29,32)/t14-,20?,21-/m1/s1/i1D
InChIKeyZKUZVQPUGPMUFD-RQJFLDLYSA-N
XLogP3.86
TPSA111.39 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.50
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

9H-fluoren-9-ylmethyl N-[9-[(2R,5R)-5-(deuteriomethyl)-4-hydroxyoxolan-2-yl]-6-oxo-1H-purin-2-yl]carbamate
CID 162087758
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
phenyl N-[9-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]carbamate
CID 90685689
N-[9-[(4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]purin-6-yl]benzamide
CID 21177225
5-[6-[(10-hydroxy-9,10-dihydrophenanthren-9-yl)amino]purin-9-yl]-2-(hydroxymethyl)oxolan-3-ol
CID 585772
[9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]urea
CID 121217181
N-[(9S,10S)-10-[[9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]-9,10-dihydrophenanthren-9-yl]methanesulfonamide
CID 15450862
N-[9-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]pyridine-2-carboxamide
CID 78064189
1-[9-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]-3-phenylurea
CID 78064206
[(2R,3R,5R)-5-(6-benzamidopurin-9-yl)-2-(hydroxymethyl)oxolan-3-yl] benzoate
CID 15576398
[(2R,5R)-5-(6-benzamidopurin-9-yl)-3-hydroxyoxolan-2-yl]methyl 4-methylbenzenesulfonate
CID 166430198
[9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]carbamic acid
CID 146237407

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[9-[(2R,5R)-5-(deuteriomethyl)-4-hydroxyoxolan-2-yl]purin-6-yl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[9-[(2R,5R)-5-(deuteriomethyl)-4-hydroxyoxolan-2-yl]purin-6-yl]carbamate (CID 87103623) is 9H-fluoren-9-ylmethyl N-[9-[(2R,5R)-5-(deuteriomethyl)-4-hydroxyoxolan-2-yl]purin-6-yl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[9-[(2R,5R)-5-(deuteriomethyl)-4-hydroxyoxolan-2-yl]purin-6-yl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[9-[(2R,5R)-5-(deuteriomethyl)-4-hydroxyoxolan-2-yl]purin-6-yl]carbamate is [2H]C[C@H]1O[C@@H](n2cnc3c(NC(=O)OCC4c5ccccc5-c5ccccc54)ncnc32)CC1O.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[9-[(2R,5R)-5-(deuteriomethyl)-4-hydroxyoxolan-2-yl]purin-6-yl]carbamate?
The InChIKey is ZKUZVQPUGPMUFD-RQJFLDLYSA-N. The full InChI is InChI=1S/C25H23N5O4/c1-14-20(31)10-21(34-14)30-13-28-22-23(26-12-27-24(22)30)29-25(32)33-11-19-17-8-4-2-6-15(17)16-7-3-5-9-18(16)19/h2-9,12-14,19-21,31H,10-11H2,1H3,(H,26,27,29,32)/t14-,20?,21-/m1/s1/i1D.
What are the key properties of 9H-fluoren-9-ylmethyl N-[9-[(2R,5R)-5-(deuteriomethyl)-4-hydroxyoxolan-2-yl]purin-6-yl]carbamate?
9H-fluoren-9-ylmethyl N-[9-[(2R,5R)-5-(deuteriomethyl)-4-hydroxyoxolan-2-yl]purin-6-yl]carbamate has a molecular weight of 458.50 g/mol, XLogP of 3.86, 5 rotatable bonds, 2 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]purin-6-yl]carbamate is sourced from PubChem (CID 87103623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).