(2R,3R,4S,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol;7H-purin-2-amine

C10H15N5O5 — CID 175258661

IUPAC(2R,3R,4S,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol;7H-purin-2-amine
SMILESNc1ncc2[nH]cnc2n1.OC[C@H]1O[C@@H](O)[C@H](O)[C@@H]1O
InChIInChI=1S/C5H5N5.C5H10O5/c6-5-7-1-3-4(10-5)9-2-8-3;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
InChIKeyRKYAKGHMZXRFLK-CAXHYWHXSA-N
MW285.26 g/mol
LogP-2.65
Rot. Bonds1

About (2R,3R,4S,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol;7H-purin-2-amine

(2R,3R,4S,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol;7H-purin-2-amine (PubChem CID 175258661) has the molecular formula C10H15N5O5 and a molecular weight of 285.26 g/mol. Its IUPAC name is (2R,3R,4S,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol;7H-purin-2-amine.

Molecular Properties

Compound Name(2R,3R,4S,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol;7H-purin-2-amine
PubChem CID175258661
Molecular FormulaC10H15N5O5
Molecular Weight285.26 g/mol
Exact Mass285.11
IUPAC Name(2R,3R,4S,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol;7H-purin-2-amine
SMILESNc1ncc2[nH]cnc2n1.OC[C@H]1O[C@@H](O)[C@H](O)[C@@H]1O
InChIInChI=1S/C5H5N5.C5H10O5/c6-5-7-1-3-4(10-5)9-2-8-3;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
InChIKeyRKYAKGHMZXRFLK-CAXHYWHXSA-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 (2R,3R,4S,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol;7H-purin-2-amine with MolForge

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Related Compounds

(2R,3R,4S,5S)-4-fluoro-2-(hydroxymethyl)-5-(7H-purin-2-yl)oxolan-3-ol
CID 141159197
(3R,4S,5R)-2-[(2-amino-7H-purin-6-yl)oxy]-5-(hydroxymethyl)oxolane-3,4-diol
CID 70268377
(2R,3R,4S,5R)-2-(2,6-diaminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol;7H-purine
CID 157386194
(2S,3R,4S,5S)-2-(6-amino-7H-purin-2-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 54431924
(2S,3S,5S)-5-(hydroxymethyl)oxolane-2,3,4-triol
CID 89313516
(3R)-5-(hydroxymethyl)oxolane-2,3,4-triol
CID 67790855
(3R,4S,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol;2H-pyrazolo[3,4-d]pyrimidin-3-amine
CID 70346694
(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

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol;7H-purin-2-amine?
The IUPAC name of (2R,3R,4S,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol;7H-purin-2-amine (CID 175258661) is (2R,3R,4S,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol;7H-purin-2-amine.
What is the SMILES notation for (2R,3R,4S,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol;7H-purin-2-amine?
The canonical SMILES for (2R,3R,4S,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol;7H-purin-2-amine is Nc1ncc2[nH]cnc2n1.OC[C@H]1O[C@@H](O)[C@H](O)[C@@H]1O.
What is the InChIKey of (2R,3R,4S,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol;7H-purin-2-amine?
The InChIKey is RKYAKGHMZXRFLK-CAXHYWHXSA-N. The full InChI is InChI=1S/C5H5N5.C5H10O5/c6-5-7-1-3-4(10-5)9-2-8-3;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 (2R,3R,4S,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol;7H-purin-2-amine?
(2R,3R,4S,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol;7H-purin-2-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 (2R,3R,4S,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol;7H-purin-2-amine is sourced from PubChem (CID 175258661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).