2-(2-amino-6-aminooxypurin-9-yl)oxy-5-(hydroxymethyl)oxolane-3,4-diol

C10H14N6O6 — CID 143758641

IUPAC2-(2-amino-6-aminooxypurin-9-yl)oxy-5-(hydroxymethyl)oxolane-3,4-diol
SMILESNOc1nc(N)nc2c1ncn2OC1OC(CO)C(O)C1O
InChIInChI=1S/C10H14N6O6/c11-10-14-7-4(8(15-10)21-12)13-2-16(7)22-9-6(19)5(18)3(1-17)20-9/h2-3,5-6,9,17-19H,1,12H2,(H2,11,14,15)
InChIKeyHSVASFYSKKFBSM-UHFFFAOYSA-N
MW314.26 g/mol
LogP-3.47
Rot. Bonds4

About 2-(2-amino-6-aminooxypurin-9-yl)oxy-5-(hydroxymethyl)oxolane-3,4-diol

2-(2-amino-6-aminooxypurin-9-yl)oxy-5-(hydroxymethyl)oxolane-3,4-diol (PubChem CID 143758641) has the molecular formula C10H14N6O6 and a molecular weight of 314.26 g/mol. Its IUPAC name is 2-(2-amino-6-aminooxypurin-9-yl)oxy-5-(hydroxymethyl)oxolane-3,4-diol.

Molecular Properties

Compound Name2-(2-amino-6-aminooxypurin-9-yl)oxy-5-(hydroxymethyl)oxolane-3,4-diol
PubChem CID143758641
Molecular FormulaC10H14N6O6
Molecular Weight314.26 g/mol
Exact Mass314.10
IUPAC Name2-(2-amino-6-aminooxypurin-9-yl)oxy-5-(hydroxymethyl)oxolane-3,4-diol
SMILESNOc1nc(N)nc2c1ncn2OC1OC(CO)C(O)C1O
InChIInChI=1S/C10H14N6O6/c11-10-14-7-4(8(15-10)21-12)13-2-16(7)22-9-6(19)5(18)3(1-17)20-9/h2-3,5-6,9,17-19H,1,12H2,(H2,11,14,15)
InChIKeyHSVASFYSKKFBSM-UHFFFAOYSA-N
XLogP-3.47
TPSA184.02 Ų
H-Bond Donors5
H-Bond Acceptors12
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.26
LogP ≤ 5-3.47
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Related Compounds

(2R,4R,5R)-2-(2-amino-6-methoxypurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 59824768
(2R,4R,5R)-2-(2-amino-6-phenylmethoxypurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 71313823
(2S,3R,4S,5R)-2-(2-anilino-6-chloropurin-9-yl)oxy-5-(hydroxymethyl)oxolane-3,4-diol
CID 121230672
(3R,4S,5R)-2-[(2-amino-7H-purin-6-yl)oxy]-5-(hydroxymethyl)oxolane-3,4-diol
CID 70268377
(2R,3S,4R,5R)-4-amino-5-(2-amino-6-ethoxypurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 90445106
(2R,3R,4S,5R)-2-[2-amino-6-(hydroxymethyl)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 11702106
[(2S,5R)-5-(2-amino-6-methoxypurin-9-yl)oxyoxolan-2-yl]methanol
CID 57250206
(2R,3R,4S,5R)-2-(2-amino-6-hydrazinylpurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 24763775
(3R,4S,5S,6R)-2-[8-[2-amino-6-[(4-bromothiophen-2-yl)methoxy]purin-9-yl]octoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 71296098
(2R,3R,4R,5R)-2-[2-amino-6-[[2-amino-9-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]disulfanyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 131878226
bis(2-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purine-6-selenolate);platinum(2+)
CID 11970192
(2S,3R,4S,5R)-2-[6-(benzylamino)purin-9-yl]oxy-5-(hydroxymethyl)oxolane-3,4-diol
CID 102067546

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-6-aminooxypurin-9-yl)oxy-5-(hydroxymethyl)oxolane-3,4-diol?
The IUPAC name of 2-(2-amino-6-aminooxypurin-9-yl)oxy-5-(hydroxymethyl)oxolane-3,4-diol (CID 143758641) is 2-(2-amino-6-aminooxypurin-9-yl)oxy-5-(hydroxymethyl)oxolane-3,4-diol.
What is the SMILES notation for 2-(2-amino-6-aminooxypurin-9-yl)oxy-5-(hydroxymethyl)oxolane-3,4-diol?
The canonical SMILES for 2-(2-amino-6-aminooxypurin-9-yl)oxy-5-(hydroxymethyl)oxolane-3,4-diol is NOc1nc(N)nc2c1ncn2OC1OC(CO)C(O)C1O.
What is the InChIKey of 2-(2-amino-6-aminooxypurin-9-yl)oxy-5-(hydroxymethyl)oxolane-3,4-diol?
The InChIKey is HSVASFYSKKFBSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6O6/c11-10-14-7-4(8(15-10)21-12)13-2-16(7)22-9-6(19)5(18)3(1-17)20-9/h2-3,5-6,9,17-19H,1,12H2,(H2,11,14,15).
What are the key properties of 2-(2-amino-6-aminooxypurin-9-yl)oxy-5-(hydroxymethyl)oxolane-3,4-diol?
2-(2-amino-6-aminooxypurin-9-yl)oxy-5-(hydroxymethyl)oxolane-3,4-diol has a molecular weight of 314.26 g/mol, XLogP of -3.47, 4 rotatable bonds, 5 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-6-aminooxypurin-9-yl)oxy-5-(hydroxymethyl)oxolane-3,4-diol is sourced from PubChem (CID 143758641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).