2-amino-5-hydroxy-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-7H-purine-6,8-dione

C10H13N5O6 — CID 101416872

IUPAC2-amino-5-hydroxy-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-7H-purine-6,8-dione
SMILESNC1=NC(=O)C2(O)NC(=O)N([C@H]3C[C@H](O)[C@@H](CO)O3)C2=N1
InChIInChI=1S/C10H13N5O6/c11-8-12-6-10(20,7(18)13-8)14-9(19)15(6)5-1-3(17)4(2-16)21-5/h3-5,16-17,20H,1-2H2,(H,14,19)(H2,11,13,18)/t3-,4+,5+,10?/m0/s1
InChIKeyYJOJGAUTJLGBJG-NGOOLADNSA-N
MW299.24 g/mol
LogP-3.58
Rot. Bonds2

About 2-amino-5-hydroxy-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-7H-purine-6,8-dione

2-amino-5-hydroxy-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-7H-purine-6,8-dione (PubChem CID 101416872) has the molecular formula C10H13N5O6 and a molecular weight of 299.24 g/mol. Its IUPAC name is 2-amino-5-hydroxy-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-7H-purine-6,8-dione.

Molecular Properties

Compound Name2-amino-5-hydroxy-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-7H-purine-6,8-dione
PubChem CID101416872
Molecular FormulaC10H13N5O6
Molecular Weight299.24 g/mol
Exact Mass299.09
IUPAC Name2-amino-5-hydroxy-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-7H-purine-6,8-dione
SMILESNC1=NC(=O)C2(O)NC(=O)N([C@H]3C[C@H](O)[C@@H](CO)O3)C2=N1
InChIInChI=1S/C10H13N5O6/c11-8-12-6-10(20,7(18)13-8)14-9(19)15(6)5-1-3(17)4(2-16)21-5/h3-5,16-17,20H,1-2H2,(H,14,19)(H2,11,13,18)/t3-,4+,5+,10?/m0/s1
InChIKeyYJOJGAUTJLGBJG-NGOOLADNSA-N
XLogP-3.58
TPSA170.07 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.24
LogP ≤ 5-3.58
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

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Related Compounds

4-hydroxy-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,5-dioxoimidazolidine-4-carboxylic acid
CID 102311303
2-amino-8-(4-aminophenyl)-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5H-purin-6-one
CID 71650468
6-amino-3-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,4-dihydro-1,3,5-triazin-5-ium-2-one
CID 140732809
2-amino-7-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4aH-pyrrolo[2,3-d]pyrimidin-4-one
CID 172653397
9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-iminopurine-6,8-dione
CID 157423768
2,8-diamino-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one
CID 161116161
(1E)-1-[3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,5-dioxoimidazolidin-4-ylidene]guanidine
CID 177462805
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-sulfanylidene-1,3-diazinane-2,4-dione
CID 87928840
1-[(2R,4R,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-sulfanylidene-1,3-diazinane-2,4-dione
CID 87921655
6-amino-3-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-1,3,5-triazine-2,4-dione
CID 71313544
6-amino-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-1,3,5-triazine-2,4-dione
CID 131865431
2-amino-8-bromo-9-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one
CID 135441479

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-hydroxy-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-7H-purine-6,8-dione?
The IUPAC name of 2-amino-5-hydroxy-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-7H-purine-6,8-dione (CID 101416872) is 2-amino-5-hydroxy-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-7H-purine-6,8-dione.
What is the SMILES notation for 2-amino-5-hydroxy-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-7H-purine-6,8-dione?
The canonical SMILES for 2-amino-5-hydroxy-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-7H-purine-6,8-dione is NC1=NC(=O)C2(O)NC(=O)N([C@H]3C[C@H](O)[C@@H](CO)O3)C2=N1.
What is the InChIKey of 2-amino-5-hydroxy-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-7H-purine-6,8-dione?
The InChIKey is YJOJGAUTJLGBJG-NGOOLADNSA-N. The full InChI is InChI=1S/C10H13N5O6/c11-8-12-6-10(20,7(18)13-8)14-9(19)15(6)5-1-3(17)4(2-16)21-5/h3-5,16-17,20H,1-2H2,(H,14,19)(H2,11,13,18)/t3-,4+,5+,10?/m0/s1.
What are the key properties of 2-amino-5-hydroxy-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-7H-purine-6,8-dione?
2-amino-5-hydroxy-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-7H-purine-6,8-dione has a molecular weight of 299.24 g/mol, XLogP of -3.58, 2 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-hydroxy-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-7H-purine-6,8-dione is sourced from PubChem (CID 101416872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).