2-amino-9-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-4,5-dihydro-1H-purin-6-one

C11H17N5O5 — CID 56679233

IUPAC2-amino-9-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-4,5-dihydro-1H-purin-6-one
SMILESC[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1N1C=NC2C(=O)NC(N)=NC21
InChIInChI=1S/C11H17N5O5/c1-11(20)6(18)4(2-17)21-9(11)16-3-13-5-7(16)14-10(12)15-8(5)19/h3-7,9,17-18,20H,2H2,1H3,(H3,12,14,15,19)/t4-,5?,6-,7?,9-,11-/m1/s1
InChIKeyJLCFJTOTCLBDIM-GGXLSYPLSA-N
MW299.29 g/mol
LogP-3.70
Rot. Bonds2

About 2-amino-9-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-4,5-dihydro-1H-purin-6-one

2-amino-9-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-4,5-dihydro-1H-purin-6-one (PubChem CID 56679233) has the molecular formula C11H17N5O5 and a molecular weight of 299.29 g/mol. Its IUPAC name is 2-amino-9-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-4,5-dihydro-1H-purin-6-one.

Molecular Properties

Compound Name2-amino-9-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-4,5-dihydro-1H-purin-6-one
PubChem CID56679233
Molecular FormulaC11H17N5O5
Molecular Weight299.29 g/mol
Exact Mass299.12
IUPAC Name2-amino-9-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-4,5-dihydro-1H-purin-6-one
SMILESC[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1N1C=NC2C(=O)NC(N)=NC21
InChIInChI=1S/C11H17N5O5/c1-11(20)6(18)4(2-17)21-9(11)16-3-13-5-7(16)14-10(12)15-8(5)19/h3-7,9,17-18,20H,2H2,1H3,(H3,12,14,15,19)/t4-,5?,6-,7?,9-,11-/m1/s1
InChIKeyJLCFJTOTCLBDIM-GGXLSYPLSA-N
XLogP-3.70
TPSA153.00 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.29
LogP ≤ 5-3.70
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Analyze 2-amino-9-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-4,5-dihydro-1H-purin-6-one with MolForge

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Launch Full Analysis

Related Compounds

[[(2S,3S,4R,5R)-2-fluoro-3,4-dihydroxy-5-(2-imino-6-oxo-5H-purin-9-yl)-4-methyloxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
CID 155922380
[[(2S,3S,4R,5R)-5-(2-amino-6-oxo-4,5-dihydro-1H-purin-9-yl)-4-ethynyl-2-fluoro-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
CID 155922382
[[(2S,3S,4R,5R)-5-(2-amino-6-oxo-4,5-dihydro-1H-purin-9-yl)-2,4-difluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
CID 155922384
2-hexylimino-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5H-purin-6-one
CID 136491923
9-(3-Fluoro-4-hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-5,9-dihydro-4H-purin-6-ol
CID 3006934
2-Amino-9-(3-fluoro-4-hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-5,9-dihydro-4H-purin-6-ol
CID 3006944
6-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-7,8a-dihydro-3aH-imidazo[4,5-e][1,3]diazepine-4,8-dione
CID 70693396
6-amino-1-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-7,8a-dihydro-3aH-imidazo[4,5-e][1,3]diazepine-4,8-dione
CID 70691294
[(2R,4S,5R)-3,4-dihydroxy-5-(2-imino-6-oxo-5H-purin-9-yl)oxolan-2-yl]methyl N-butanoylsulfamate
CID 154732873
N-(9-(4-Hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-6-oxo-4,5,6,9-tetrahydro-3H-purin-2-yl)isobutyramide
CID 3247687
2-amino-9-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyl-tetrahydrofuran-2-yl]-3,4-dihydropurin-6-one
CID 71595744
5-Methylguanosine
CID 67256867

Frequently Asked Questions

What is the IUPAC name of 2-amino-9-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-4,5-dihydro-1H-purin-6-one?
The IUPAC name of 2-amino-9-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-4,5-dihydro-1H-purin-6-one (CID 56679233) is 2-amino-9-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-4,5-dihydro-1H-purin-6-one.
What is the SMILES notation for 2-amino-9-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-4,5-dihydro-1H-purin-6-one?
The canonical SMILES for 2-amino-9-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-4,5-dihydro-1H-purin-6-one is C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1N1C=NC2C(=O)NC(N)=NC21.
What is the InChIKey of 2-amino-9-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-4,5-dihydro-1H-purin-6-one?
The InChIKey is JLCFJTOTCLBDIM-GGXLSYPLSA-N. The full InChI is InChI=1S/C11H17N5O5/c1-11(20)6(18)4(2-17)21-9(11)16-3-13-5-7(16)14-10(12)15-8(5)19/h3-7,9,17-18,20H,2H2,1H3,(H3,12,14,15,19)/t4-,5?,6-,7?,9-,11-/m1/s1.
What are the key properties of 2-amino-9-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-4,5-dihydro-1H-purin-6-one?
2-amino-9-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-4,5-dihydro-1H-purin-6-one has a molecular weight of 299.29 g/mol, XLogP of -3.70, 2 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-9-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-4,5-dihydro-1H-purin-6-one is sourced from PubChem (CID 56679233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).