(3R,4S,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol;2H-pyrazolo[3,4-d]pyrimidin-3-amine

C10H15N5O5 — CID 70346694

IUPAC(3R,4S,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol;2H-pyrazolo[3,4-d]pyrimidin-3-amine
SMILESNc1[nH]nc2ncncc12.OC[C@H]1OC(O)[C@H](O)[C@@H]1O
InChIInChI=1S/C5H5N5.C5H10O5/c6-4-3-1-7-2-8-5(3)10-9-4;6-1-2-3(7)4(8)5(9)10-2/h1-2H,(H3,6,7,8,9,10);2-9H,1H2/t;2-,3-,4-,5?/m.1/s1
InChIKeyUINMIGIATYHQSL-NWHVNECISA-N
MW285.26 g/mol
LogP-2.65
Rot. Bonds1

About (3R,4S,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol;2H-pyrazolo[3,4-d]pyrimidin-3-amine

(3R,4S,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol;2H-pyrazolo[3,4-d]pyrimidin-3-amine (PubChem CID 70346694) has the molecular formula C10H15N5O5 and a molecular weight of 285.26 g/mol. Its IUPAC name is (3R,4S,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol;2H-pyrazolo[3,4-d]pyrimidin-3-amine.

Molecular Properties

Compound Name(3R,4S,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol;2H-pyrazolo[3,4-d]pyrimidin-3-amine
PubChem CID70346694
Molecular FormulaC10H15N5O5
Molecular Weight285.26 g/mol
Exact Mass285.11
IUPAC Name(3R,4S,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol;2H-pyrazolo[3,4-d]pyrimidin-3-amine
SMILESNc1[nH]nc2ncncc12.OC[C@H]1OC(O)[C@H](O)[C@@H]1O
InChIInChI=1S/C5H5N5.C5H10O5/c6-4-3-1-7-2-8-5(3)10-9-4;6-1-2-3(7)4(8)5(9)10-2/h1-2H,(H3,6,7,8,9,10);2-9H,1H2/t;2-,3-,4-,5?/m.1/s1
InChIKeyUINMIGIATYHQSL-NWHVNECISA-N
XLogP-2.65
TPSA170.63 Ų
H-Bond Donors6
H-Bond Acceptors9
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.26
LogP ≤ 5-2.65
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 109

Analyze (3R,4S,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol;2H-pyrazolo[3,4-d]pyrimidin-3-amine with MolForge

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Related Compounds

(2R,3R,4S,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol;7H-purin-2-amine
CID 175258661
(2S,3S,5S)-5-(hydroxymethyl)oxolane-2,3,4-triol
CID 89313516
(3R)-5-(hydroxymethyl)oxolane-2,3,4-triol
CID 67790855
(5S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 59445439
(2S,3S,4R,5S,6S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 6971007
(3R,4S,5S,6R)-6-((15O)oxidanylmethyl)oxane-2,3,4,5-tetrol
CID 11492034
(2S,3S,5R,6S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 125309563
(2R,3R,4S,5R,6R)-6-(hydroxy(113C)methyl)oxane-2,3,4,5-tetrol
CID 11344362
(2S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 156615593
(2R,3S,4R)-2-(hydroxymethyl)-5-([1,3]thiazolo[4,5-d]pyrimidin-2-yl)oxolane-3,4-diol
CID 67089170
2-(hydroxymethyl)-5-pyrimidin-5-yloxolane-3,4-diol
CID 20513127
(3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;1H-1,2,4-triazole
CID 174822749

Frequently Asked Questions

What is the IUPAC name of (3R,4S,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol;2H-pyrazolo[3,4-d]pyrimidin-3-amine?
The IUPAC name of (3R,4S,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol;2H-pyrazolo[3,4-d]pyrimidin-3-amine (CID 70346694) is (3R,4S,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol;2H-pyrazolo[3,4-d]pyrimidin-3-amine.
What is the SMILES notation for (3R,4S,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol;2H-pyrazolo[3,4-d]pyrimidin-3-amine?
The canonical SMILES for (3R,4S,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol;2H-pyrazolo[3,4-d]pyrimidin-3-amine is Nc1[nH]nc2ncncc12.OC[C@H]1OC(O)[C@H](O)[C@@H]1O.
What is the InChIKey of (3R,4S,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol;2H-pyrazolo[3,4-d]pyrimidin-3-amine?
The InChIKey is UINMIGIATYHQSL-NWHVNECISA-N. The full InChI is InChI=1S/C5H5N5.C5H10O5/c6-4-3-1-7-2-8-5(3)10-9-4;6-1-2-3(7)4(8)5(9)10-2/h1-2H,(H3,6,7,8,9,10);2-9H,1H2/t;2-,3-,4-,5?/m.1/s1.
What are the key properties of (3R,4S,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol;2H-pyrazolo[3,4-d]pyrimidin-3-amine?
(3R,4S,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol;2H-pyrazolo[3,4-d]pyrimidin-3-amine has a molecular weight of 285.26 g/mol, XLogP of -2.65, 1 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol;2H-pyrazolo[3,4-d]pyrimidin-3-amine is sourced from PubChem (CID 70346694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).