(2S,3S)-2-[2-amino-6-(methoxyamino)purin-7-yl]-2-(hydroxymethyl)oxolan-3-ol

C11H16N6O4 — CID 57265073

IUPAC(2S,3S)-2-[2-amino-6-(methoxyamino)purin-7-yl]-2-(hydroxymethyl)oxolan-3-ol
SMILESCONc1nc(N)nc2ncn([C@@]3(CO)OCC[C@@H]3O)c12
InChIInChI=1S/C11H16N6O4/c1-20-16-9-7-8(14-10(12)15-9)13-5-17(7)11(4-18)6(19)2-3-21-11/h5-6,18-19H,2-4H2,1H3,(H3,12,14,15,16)/t6-,11-/m0/s1
InChIKeyRJIIYUJJIDZDOB-KGFZYKRKSA-N
MW296.29 g/mol
LogP-1.19
Rot. Bonds4

About (2S,3S)-2-[2-amino-6-(methoxyamino)purin-7-yl]-2-(hydroxymethyl)oxolan-3-ol

(2S,3S)-2-[2-amino-6-(methoxyamino)purin-7-yl]-2-(hydroxymethyl)oxolan-3-ol (PubChem CID 57265073) has the molecular formula C11H16N6O4 and a molecular weight of 296.29 g/mol. Its IUPAC name is (2S,3S)-2-[2-amino-6-(methoxyamino)purin-7-yl]-2-(hydroxymethyl)oxolan-3-ol.

Molecular Properties

Compound Name(2S,3S)-2-[2-amino-6-(methoxyamino)purin-7-yl]-2-(hydroxymethyl)oxolan-3-ol
PubChem CID57265073
Molecular FormulaC11H16N6O4
Molecular Weight296.29 g/mol
Exact Mass296.12
IUPAC Name(2S,3S)-2-[2-amino-6-(methoxyamino)purin-7-yl]-2-(hydroxymethyl)oxolan-3-ol
SMILESCONc1nc(N)nc2ncn([C@@]3(CO)OCC[C@@H]3O)c12
InChIInChI=1S/C11H16N6O4/c1-20-16-9-7-8(14-10(12)15-9)13-5-17(7)11(4-18)6(19)2-3-21-11/h5-6,18-19H,2-4H2,1H3,(H3,12,14,15,16)/t6-,11-/m0/s1
InChIKeyRJIIYUJJIDZDOB-KGFZYKRKSA-N
XLogP-1.19
TPSA140.57 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.29
LogP ≤ 5-1.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

(2R,3S,5R)-5-[2-amino-6-(methoxyamino)purin-7-yl]-2-(hydroxymethyl)oxolan-3-ol
CID 20591849
(2R,3S,4R,5R)-5-[2-amino-6-(methoxyamino)purin-9-yl]-2-(hydroxymethyl)-3-methyloxolane-3,4-diol
CID 53231132
(1R,2S,3R,5R)-3-[2-amino-6-(methoxyamino)purin-9-yl]-5-(hydroxymethyl)cyclopentane-1,2-diol
CID 10924939
4-amino-1-[(2S,3S,4R)-3,4-dihydroxy-2-(hydroxymethyl)oxolan-2-yl]-1,3,5-triazin-2-one
CID 123436693
(2R,3R,4R,5R)-5-[2-amino-6-(cyclopropylamino)purin-9-yl]-4-fluoro-2-(hydroxymethyl)-2-methyloxolan-3-ol
CID 134165909
(3R,4S,5S)-2-(6-amino-2-cyclopentyloxypurin-9-yl)-5-(fluoromethyl)-2-(hydroxymethyl)oxolane-3,4-diol
CID 68823937
(5R,6R,8R,9R)-6-(2-amino-6-methoxypurin-9-yl)-8-(hydroxymethyl)-1,7-dioxaspiro[4.4]nonan-9-ol
CID 67772128
3-[(2S,3S,4R)-2-[2-[2-(4-fluorophenyl)ethynyl]-6-(methoxyamino)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]propanamide
CID 91143028
(2S,3R)-5-(2-amino-6-methoxypurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 154710689
(2R,3R,4S,5R)-2-(2-amino-6-methoxypurin-9-yl)-5-(hydroxymethyl)-2-methyloxolane-3,4-diol
CID 140693358
(2R,5R)-5-(2-amino-6-methoxypurin-9-yl)-4,4-dibromo-2-(hydroxymethyl)oxolan-3-ol
CID 154011880
(2R,5R,6R)-2-(2-amino-6-methoxypurin-9-yl)-6-(hydroxymethyl)oxane-3,5-diol
CID 148902630

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-[2-amino-6-(methoxyamino)purin-7-yl]-2-(hydroxymethyl)oxolan-3-ol?
The IUPAC name of (2S,3S)-2-[2-amino-6-(methoxyamino)purin-7-yl]-2-(hydroxymethyl)oxolan-3-ol (CID 57265073) is (2S,3S)-2-[2-amino-6-(methoxyamino)purin-7-yl]-2-(hydroxymethyl)oxolan-3-ol.
What is the SMILES notation for (2S,3S)-2-[2-amino-6-(methoxyamino)purin-7-yl]-2-(hydroxymethyl)oxolan-3-ol?
The canonical SMILES for (2S,3S)-2-[2-amino-6-(methoxyamino)purin-7-yl]-2-(hydroxymethyl)oxolan-3-ol is CONc1nc(N)nc2ncn([C@@]3(CO)OCC[C@@H]3O)c12.
What is the InChIKey of (2S,3S)-2-[2-amino-6-(methoxyamino)purin-7-yl]-2-(hydroxymethyl)oxolan-3-ol?
The InChIKey is RJIIYUJJIDZDOB-KGFZYKRKSA-N. The full InChI is InChI=1S/C11H16N6O4/c1-20-16-9-7-8(14-10(12)15-9)13-5-17(7)11(4-18)6(19)2-3-21-11/h5-6,18-19H,2-4H2,1H3,(H3,12,14,15,16)/t6-,11-/m0/s1.
What are the key properties of (2S,3S)-2-[2-amino-6-(methoxyamino)purin-7-yl]-2-(hydroxymethyl)oxolan-3-ol?
(2S,3S)-2-[2-amino-6-(methoxyamino)purin-7-yl]-2-(hydroxymethyl)oxolan-3-ol has a molecular weight of 296.29 g/mol, XLogP of -1.19, 4 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-[2-amino-6-(methoxyamino)purin-7-yl]-2-(hydroxymethyl)oxolan-3-ol is sourced from PubChem (CID 57265073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).